SCHEMBL9254086

SCHEMBL9254086

CCOC(=O)OC(C)OC(=O)CCc1nnc(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.39
F10 P00742 6/20 0.39
PRSS1 P07477 3/20 0.36
CSNK2A2 P19784 4/20 0.34
CSNK2A1 P68400 4/20 0.34
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9257176 0.86 CSNK2A2 (0.43) F2F10PRSS1CSNK2A2CSNK2A1
SCHEMBL9250720 0.83 SMN1; SMN2 (0.39) CSNK2A2CSNK2A1KDM4EALDH1A1HPGD
SCHEMBL9254531 0.81 TMPRSS15 (0.43) F2F10PRSS1CSNK2A2CSNK2A1
SCHEMBL9247290 0.77 TMPRSS15 (0.35) F2F10CSNK2A2CSNK2A1NR1H4
SCHEMBL9257438 0.76 ITGB3 (0.46) F2PRSS1CSNK2A2CSNK2A1ITGB3
SCHEMBL9255799 0.75 F10 (0.41) F2F10PRSS1RAB9AITGB3
SCHEMBL9255491 0.73 CSNK2A2 (0.46) CSNK2A2CSNK2A1NR1H4KDM4ERAB9A
SCHEMBL9255636 0.73 TMPRSS15 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL9253457 0.72 PRSS1 (0.41) F2F10PRSS1RAB9AITGB3
SCHEMBL9254692 0.71 F10 (0.34) F2F10PRSS1PRSS2PRSS3

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