SCHEMBL9257112

SCHEMBL9257112

CCCCCCc1nc(CCC(=O)OC)cn1-c1ccc(-c2ccc(C(=N)N)cc2)nn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 4/20 0.33
NPC1 O15118 3/20 0.33
AGER Q15109 1/20 0.33
SPNS2 Q8IVW8 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 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
SCHEMBL9248487 0.91 AGER (0.38) TLR8ITGB3ITGA2BSMN1; SMN2MAPT
SCHEMBL9280389 0.87 ITGB3 (0.35) ITGB3ITGA2BNPC1RAB9A
SCHEMBL9568422 0.86 F2 (0.37) ITGB3ITGA2BMAPT
SCHEMBL9250808 0.82 ITGB3 (0.36) ITGB3ITGA2BMAPTNPC1
SCHEMBL9259191 0.82 NQO2 (0.38) ITGB3ITGA2BSMN1; SMN2MAPTNPC1
SCHEMBL8863938 0.78 TMPRSS15 (0.36) TLR8ITGB3ITGA2BSMN1; SMN2MAPT
SCHEMBL9251260 0.78 F10 (0.36) SMN1; SMN2MAPT
SCHEMBL9250591 0.77 MIF (0.43) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL9247213 0.76 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9250761 0.76 F2 (0.40) ITGB3ITGA2B

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