SCHEMBL42000

SCHEMBL42000

CCNc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
IDH2 P48735 2/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 5/20 0.51
GAA P10253 3/20 0.51
TRPA1 O75762 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
DRD3 P35462 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30490047 1.00 LMNA (0.53) LMNAIDH2RAPGEF4L3MBTL1MAPT
Bromide SCHEMBL29203649 0.98 LMNA (0.51) LMNAIDH2RAPGEF4L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8887020 0.98 LMNA (0.51) LMNAIDH2RAPGEF4L3MBTL1MAPT
Iodide SCHEMBL29203654 0.98 LMNA (0.51) LMNAIDH2RAPGEF4L3MBTL1MAPT
SCHEMBL6232265 0.87 LMNA (0.63) LMNAIDH2RAPGEF4L3MBTL1MAPT
SCHEMBL1419865 0.84 LMNA (0.56) LMNAIDH2RAPGEF4L3MBTL1MAPT
SCHEMBL11114461 0.82 MAPT (0.51) LMNAIDH2RAPGEF4L3MBTL1MAPT
SCHEMBL667386 0.82 HRH3 (0.50) MAPTTRPA1HTT
SCHEMBL6235877 0.82 LMNA (0.55) LMNAIDH2RAPGEF4L3MBTL1MAPT
SCHEMBL7784428 0.82 NPSR1 (0.51) LMNARAPGEF4MAPTGAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143824-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2013-06-06 US claimed
US-20120058953-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2012-03-08 US claimed
US-20110039324-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2011-02-17 US claimed
US-20090148921-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. (US) 2009-06-11 US claimed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP claimed
US-20040171554-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. 2004-09-02 US claimed
CN-118922001-A Carbon-based organic-inorganic perovskite solar cell based on 3-trifluoromethyl phenethylamine hydroiodidate modification 河北工业大学 2024-11-08 CN disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
CN-115057883-B Two-dimensional perovskite white light material and preparation method and application thereof 吉林大学 2024-05-17 CN disclosed
CN-113845473-A Fluopyramid derivative and preparation method and application thereof 常州大学 2021-12-28 CN disclosed
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
WO-2020036661-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-02-20 WO disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
EP-1620409-A1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004096780-A1 QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-4407820-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1983-10-04 US disclosed