SCHEMBL8029916

SCHEMBL8029916

Cc1cc2cccc(C(F)(F)F)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
KIF11 P52732 1/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
MDM2 Q00987 7/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL12755294 0.82 KDM4E (0.47) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15450893 0.75 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL3293424 0.75 DAO (0.53) HRH4KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL30712834 0.74 DAO (0.56) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1093711 0.74 DAO (0.56) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL29956573 0.74 CYP2A6 (0.47) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1145047 0.73 HRH4 (0.60) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3418623 0.73 DAO (0.64) HRH4KIF11KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19705440 0.72 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4213815 0.72 HRH4 (0.55) HRH4KDM4ESMN1; SMN2ALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
WO-2009114870-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2009-09-17 WO disclosed
WO-2007106503-A2 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-6013648-A IMMUNOMODULATORS SANOFI (FR) 2000-01-11 US disclosed
EP-0833818-A1 CB 2? RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000860-A1 CB2 RECEPTOR AGONIST COMPOUNDS SANOFI (FR) 1997-01-09 WO disclosed