SCHEMBL3846752

SCHEMBL3846752

CSc1cccc(NC(=O)c2ccc(Br)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 3/20 0.55
GPR27 Q9NS67 1/20 0.53
MEN1 O00255 3/20 0.52
TP53 P04637 3/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RECQL P46063 1/20 0.51
GRM4 Q14833 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
SORT1 Q99523 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL2301405 0.80 KMT2A (0.56) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL3850292 0.79 GPR27 (0.61) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL29556014 0.76 MEN1 (0.74) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL3852009 0.76 ALDH1A1 (0.52) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL24670924 0.75 RAB9A (0.69) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL3851218 0.75 RAB9A (0.78) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL27181188 0.74 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKMT2ANPC1LMNA
SCHEMBL30926970 0.74 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKMT2ANPC1LMNA
SCHEMBL4878207 0.74 CYP11B2 (0.72) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL2693414 0.74 MAPT (0.57) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1

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
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed