SCHEMBL8930196

SCHEMBL8930196

COc1c(C=CC(=O)Nc2ccc(F)cc2F)c(=O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 5/20 0.40
BCHE P06276 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL8548913 1.00 EGFR (0.43) EGFRALDH1A1CYP2C19MEN1LMNA
SCHEMBL8722402 0.82 GPR17 (0.49) EGFRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL8549040 0.82 GPR17 (0.49) EGFRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL8930074 0.81 LPAR1 (0.46) ALDH1A1LMNAMAPTALOX15
SCHEMBL8548709 0.81 LPAR1 (0.46) ALDH1A1LMNAMAPTALOX15
SCHEMBL8544547 0.81 ALOX15 (0.41) EGFRALOX15PARP1
SCHEMBL8544259 0.80 TUBB4A (0.43) MEN1LMNAKMT2AALOX15MAPK1
SCHEMBL8544261 0.80 TUBB4A (0.43) MEN1LMNAKMT2AALOX15MAPK1
SCHEMBL8930082 0.78 MAPT (0.48) EGFRALDH1A1CYP2C19MEN1LMNA
SCHEMBL8721619 0.78 MAPT (0.48) EGFRALDH1A1CYP2C19MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US claimed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US disclosed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed