SCHEMBL9588982

SCHEMBL9588982

O=c1[nH]c2ncccc2o1.[Na]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
OGT O15294 1/20 0.47
GRM5 P41594 3/20 0.43
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
DAO P14920 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SYK P43405 3/20 0.39
FEN1 P39748 1/20 0.38
MCL1 Q07820 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL29578046 0.98 HTT (0.61) HTTHSD17B10OGTGRM5AURKA
SCHEMBL340652 0.98 HTT (0.61) HTTHSD17B10OGTGRM5AURKA
Hydrochloric Acid SCHEMBL30693613 0.96 HTT (0.59) HTTHSD17B10OGTGRM5AURKA
SCHEMBL9588973 0.96 HTT (0.59) HTTHSD17B10OGTGRM5AURKA
SCHEMBL1522777 0.76 PARP1 (0.53) HTTHSD17B10AURKAPARP1ALDH1A1
SCHEMBL19897476 0.76 PARP1 (0.46) HTTHSD17B10OGTGRM5AURKA
SCHEMBL29422383 0.74 HSD17B10 (1.00) HTTHSD17B10AURKAPARP1KDM4E
SCHEMBL778314 0.74 HSD17B10 (1.00) HTTHSD17B10AURKAPARP1KDM4E
SCHEMBL341634 0.67 NOS1 (0.37) HTTHSD17B10OGTAURKAPARP1
SCHEMBL14358997 0.67 PDE3B (0.44) OGTGRM5PDE3BPDE3ASYK

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
US-5190960-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-02 US disclosed
US-5155116-A Analgesics devoid of antiinflammatory activity ADIR ET COMPAGNIE (FR) 1992-10-13 US disclosed
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed