SCHEMBL7991365

SCHEMBL7991365

COc1cc(OC(C)C)c(Cl)cc1C(=O)Nc1cccc2c1CCN(C)C2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 5/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SHMT2 P34897 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL7993464 0.88 KMT2A (0.42) KMT2AKDM4EALDH1A1POLBNPC1
SCHEMBL7993247 0.83 KDM4E (0.43) KMT2AKDM4EALDH1A1POLBNPC1
SCHEMBL8186096 0.83 ROCK2 (0.46) BRPF1KMT2AKDM4EALDH1A1POLB
SCHEMBL7993333 0.78 NR1H4 (0.45) BRPF1KMT2AKDM4EALDH1A1POLB
SCHEMBL7979061 0.78 PDE4D (0.39) KMT2AKDM4EALDH1A1POLBLMNA
SCHEMBL8175290 0.74 KMT2A (0.48) KMT2AKDM4EALDH1A1POLBNPC1
SCHEMBL7658672 0.74 KMT2A (0.42) BRPF1KMT2AKDM4EALDH1A1POLB
SCHEMBL7978729 0.73 KDM4E (0.45) KMT2AKDM4EALDH1A1POLBNPC1
SCHEMBL8184238 0.73 MAP3K5 (0.44) BRPF1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8176110 0.72 MAP3K5 (0.43) BRPF1KMT2AKDM4ENPC1MEN1

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-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US claimed
CN-1255917-A Anti-convulsant isoquinolyl-benzamide derivatives SMITHKLINE BEECHAM PLC (GB) 2000-06-07 CN claimed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
CN-1255917-A Anti-convulsant isoquinolyl-benzamide derivatives SMITHKLINE BEECHAM PLC (GB) 2000-06-07 CN disclosed