SCHEMBL8175249

SCHEMBL8175249

COc1ccc(C(=O)c2ccc(I)cc2)cc1C(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ROCK2 O75116 2/20 0.40
PRKG1 Q13976 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6294915 0.86 TP53 (0.45) KMT2AALDH1A1LMNASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL11733272 0.81 KMT2A (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8446026 0.80 ROCK2 (0.41) ROCK2PRKG1RXFP1ITGB3ITGA2B
SCHEMBL5333856 0.80 MAPT (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7799778 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8185203 0.79 KMT2A (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8446028 0.79 ROCK2 (0.33) ROCK2PRKG1RXFP1ITGB3ITGA2B
SCHEMBL8446031 0.79 ROCK2 (0.39) ROCK2PRKG1RXFP1ITGB3ITGA2B
SCHEMBL11732239 0.78 MEN1 (0.72) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11730537 0.77 MEN1 (0.71) MEN1KMT2AALDH1A1LMNASMN1; 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