SCHEMBL8174378

SCHEMBL8174378

CCCCOc1cc(OC)c(C(=O)Nc2cccc3c2CCN(C)C3)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 1/20 0.41
S1PR5 Q9H228 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ROCK2 O75116 2/20 0.40
HTR4 Q13639 1/20 0.40
EGFR P00533 1/20 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
SCHEMBL8183726 0.92 KMT2A (0.44) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8175290 0.90 KMT2A (0.48) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL7792101 0.90 ALDH1A1 (0.43) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8444379 0.88 MAPT (0.46) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8183709 0.88 BRD9 (0.44) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8186107 0.87 CHRNA7 (0.49) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8184601 0.87 KMT2A (0.49) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8183724 0.87 MAPT (0.47) KMT2AMEN1MAPTBRD9ALDH1A1
SCHEMBL8184226 0.87 KMT2A (0.46) KMT2AMAPK1MEN1USP2SMN1; SMN2
SCHEMBL8440951 0.86 BRD9 (0.43) KMT2AMAPK1MEN1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed