SCHEMBL7375557

SCHEMBL7375557

CCOc1cc([N+](=O)[O-])c(Cl)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL11611705 0.89 MAPT (0.44) TSHRHSD17B10MAPTPOLBTDP1
SCHEMBL1645081 0.88 TSHR (0.53) TSHRHSD17B10MAPTPOLBNPSR1
SCHEMBL28422439 0.86 TDP1 (0.49) MAPTPOLBTDP1NPSR1KDM4E
SCHEMBL8185807 0.84 LMNA (0.53) TSHRHSD17B10MAPTPOLBKDM4E
SCHEMBL30309542 0.83 TSHR (0.48) TSHRHSD17B10MAPTPOLBMAPK1
SCHEMBL11577236 0.83 MAPT (0.44) TSHRHSD17B10MAPTPOLBTDP1
SCHEMBL13948927 0.82 TSHR (0.57) TSHRHSD17B10MAPTPOLBKMT2A
SCHEMBL28406321 0.81 TSHR (0.49) TSHRHSD17B10MAPTPOLBNPSR1
SCHEMBL9721688 0.80 MAPT (0.55) TSHRHSD17B10MAPTPOLBTDP1
SCHEMBL28418512 0.80 TSHR (0.44) TSHRHSD17B10MAPTTDP1KMT2A

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
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed