SCHEMBL6845535

SCHEMBL6845535

C=C/C(C#N)=C\C=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25626247 0.87 ALDH1A1 (0.33) TDP1ALDH1A1TSHR
SCHEMBL25698114 0.83 TDP1 (0.33) TDP1
SCHEMBL13562812 0.82
SCHEMBL9967232 0.81 TDP1 (0.32) TDP1
SCHEMBL14067340 0.81 TDP1 (0.32) TDP1
SCHEMBL22926680 0.78 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10050367 0.76
SCHEMBL11256849 0.76
SCHEMBL14067086 0.75
SCHEMBL19047606 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 WO disclosed
EP-3101015-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA Pharma Co., Ltd. (JP) 2016-12-07 EP disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO disclosed
WO-2013152063-A1 NAPHTHYRIDINONE DERIVATIVES AS INHIBITORS OF CYTOMEGALOVIRUS DNA POLYMERASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-10 WO disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-1661568-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-09-03 EP disclosed
EP-1597242-B1 HIV INHIBITING 1,2,4-TRIAZINES JANSSEN PHARMACEUTICA NV (BE) 2008-07-23 EP disclosed