SCHEMBL9253869

SCHEMBL9253869

Cn1cc(-c2ccc(C(=N)N)cc2)nc1-c1ccc(CCC(=O)OCOC(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
F10 P00742 6/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
PRSS1 P07477 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NQO2 P16083 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PDE10A Q9Y233 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL9288922 0.89 TDP1 (0.43) F2KDM4EALDH1A1F10MEN1
SCHEMBL9253893 0.89 F10 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9254497 0.89 F2 (0.38) F2F10GAAPRSS1ITGB3
SCHEMBL9257073 0.87 F10 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9281623 0.86 F10 (0.36) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9259034 0.85 NPC1 (0.42) F2HPGDF10PRSS1ITGB3
SCHEMBL9257434 0.85 NPC1 (0.42) F2HPGDF10PRSS1ITGB3
Hydrochloric Acid SCHEMBL9256062 0.84 NPC1 (0.41) F2HPGDF10PRSS1ITGB3
SCHEMBL9251393 0.83 ITGB3 (0.52) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9258269 0.83 ITGB3 (0.52) F2F10PRSS1ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed