SCHEMBL6965347

SCHEMBL6965347

Cc1nc2ccccc2cc1NC(=O)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
STAT3 P40763 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PIK3CA P42336 1/20 0.41
GCG P01275 1/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL22410705 0.84 ALDH1A1 (0.53) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6956521 0.83 MAPT (0.42) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL13017491 0.79 KDM4E (0.53) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6954161 0.75 MAOB (0.56) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL28193476 0.75 ALDH1A1 (0.50) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6962159 0.72 L3MBTL1 (0.40) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6835975 0.70 ALDH1A1 (0.45) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6965350 0.69 GAA (0.44) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL6956204 0.69 SMN1; SMN2 (0.44) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1
SCHEMBL17870665 0.69 ALDH1A1 (0.50) SMN1; SMN2MAPTRAB9AKDM4EALDH1A1

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed