SCHEMBL9690100

SCHEMBL9690100

N#Cc1cccc2ncc(C(=O)O)c(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.37
CXCR2 P25025 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
BRS3 P32247 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PREP P48147 1/20 0.34
EIF4EBP1 Q13541 1/20 0.34

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
SCHEMBL9691086 0.80 KDM4E (0.42) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL7712356 0.77 ALDH1A1 (0.55) PARP1ALDH1A1HSD17B10HPGDALOX15
SCHEMBL3354007 0.77 HAVCR2 (0.43) XDHCXCR2ALDH1A1HSD17B10HPGD
SCHEMBL9354205 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL9655344 0.72 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL1662301 0.72 ALDH1A1 (0.52) XDHCXCR2NOTUMALDH1A1HSD17B10
SCHEMBL4471451 0.70 DHFR (0.44) ALDH1A1BRS3
SCHEMBL4471447 0.70 KDM4E (0.37) ALDH1A1HSD17B10HPGDALOX15KDM4E
SCHEMBL11783850 0.69 HSD17B10 (0.58) NOTUMALDH1A1HSD17B10HPGDALOX15
SCHEMBL399518 0.69 HPGD (0.55) ALDH1A1HSD17B10HPGDALOX15KDM4E

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-0298134-B1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-11-11 EP disclosed
US-4965266-A Antiallergens DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-10-23 US disclosed
EP-0298134-A1 AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1989-01-11 EP disclosed