SCHEMBL7869925

SCHEMBL7869925

Nc1ccccc1C(=O)c1cn[nH]c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
PDPK1 O15530 1/20 0.42
HSD17B10 Q99714 5/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 2/20 0.42
ESRRA P11474 2/20 0.40
MMP2 P08253 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 6/20 0.38
CFTR P13569 1/20 0.38
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL7863137 0.77 MAPT (0.52) MAPTGAAHSD17B10KDM4ENPC1
SCHEMBL30790667 0.75 MAPT (0.74) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL112507 0.75 MAPT (0.74) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL7863269 0.74 MAPT (0.49) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL2028031 0.74 MAPT (0.67) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL29556870 0.74 MAPT (0.67) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL8764887 0.73 MAPT (0.71) MAPTGAAHSD17B10ALOX15TP53
Ammonia Solution, Strong SCHEMBL10992665 0.73 MAPT (0.71) MAPTGAAHSD17B10ALOX15TP53
Hydrochloric Acid SCHEMBL11745887 0.73 MAPT (0.71) MAPTGAAHSD17B10ALOX15TP53
SCHEMBL4837697 0.72

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
US-6313290-B1 Azolobenzazepine derivatives and compositions and method of use thereof ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6124281-A TREATING STROKES ZENECA LIMITED (GB) 2000-09-26 US disclosed
EP-0888350-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1999-01-07 EP disclosed
WO-1997032883-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1997-09-12 WO disclosed