SCHEMBL9258660

SCHEMBL9258660

COC(=O)CCc1ccc(-c2nnc(-c3ccc(C(=N)N)cc3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
PRSS1 P07477 4/20 0.44
NQO2 P16083 3/20 0.43
ST14 Q9Y5Y6 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TMPRSS15 P98073 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL14018791 0.88 HSD17B10 (0.47) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9250754 0.87 KMT2A (0.49) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9250170 0.85 NQO2 (0.61) F2F10PRSS1NQO2TMPRSS15
SCHEMBL9257683 0.85 ITGB3 (0.56) F2F10PRSS1NQO2ST14
Hydrochloric Acid SCHEMBL9254391 0.84 ST14 (0.54) F2F10PRSS1ST14ITGB3
SCHEMBL9253124 0.84 F2 (0.45) F2F10PRSS1ST14TMPRSS15
SCHEMBL9257765 0.83 S1PR1 (0.45) F2F10PRSS1ST14ITGB3
SCHEMBL9253071 0.80 NQO2 (0.56) F2F10PRSS1NQO2ST14
SCHEMBL9251931 0.80 CYP11B1 (0.52) GSK3AGSK3BMAPTSMN1; SMN2KDM4E
SCHEMBL9254388 0.78 F2 (0.43) F2F10PRSS1NQO2ST14

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