SCHEMBL7685900

SCHEMBL7685900

CC(C)(C)OC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.61
FNTB P49356 18/20 0.61
HRAS P01112 1/20 0.44
KRAS P01116 1/20 0.44
PGGT1B P53609 1/20 0.44
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL6634998 1.00 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3499533 0.89 FNTA (0.72) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3499530 0.89 FNTA (0.72) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3499914 0.89 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3499918 0.89 FNTA (0.62) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3500692 0.88 FNTA (0.72) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3500689 0.88 FNTA (0.72) FNTAFNTBHRASKRASPGGT1B
Hydrochloric Acid SCHEMBL3501995 0.88 FNTA (0.71) FNTAFNTBHRASKRASPGGT1B
Hydrochloric Acid SCHEMBL3501991 0.88 FNTA (0.71) FNTAFNTBHRASKRASPGGT1B
SCHEMBL3500703 0.87 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed