SCHEMBL8174302

SCHEMBL8174302

CCc1ccc(C(=O)Nc2cccc3c2CCN(C)C3)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
MAP3K5 Q99683 1/20 0.40
BRPF1 P55201 1/20 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
SCHEMBL8176766 0.87 ALDH1A1 (0.50) KMT2AMEN1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8184284 0.86 ALDH1A1 (0.49) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL8189042 0.86 MEN1 (0.53) KMT2AMEN1MAPK1MAPTSMN1; SMN2
SCHEMBL7109075 0.86 MAPT (0.50) KMT2AMEN1MAPK1MAPTSMN1; SMN2
SCHEMBL8183724 0.85 MAPT (0.47) KMT2AMEN1MAPTALDH1A1
SCHEMBL8184203 0.85 KMT2A (0.42) KMT2AMEN1ABCB1ABCG2MAPK1
SCHEMBL8184226 0.85 KMT2A (0.46) KMT2AMEN1MAPK1MAPTSMN1; SMN2
SCHEMBL7799989 0.85 ALDH1A1 (0.44) KMT2AMEN1MAPK1MAPTSMN1; SMN2
SCHEMBL8175630 0.84 RAB9A (0.56) KMT2AMEN1MAPK1MAPTSMN1; SMN2
SCHEMBL8185113 0.84 MAPK1 (0.47) KMT2AMEN1IRAK4MAPK1MAPT

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