SCHEMBL9254094

SCHEMBL9254094

CCOC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.37
F10 P00742 7/20 0.37
PDK1 Q15118 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
EP300 Q09472 4/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
PRSS1 P07477 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9257803 0.92 MAPT (0.35) F2F10PRSS1MAPT
SCHEMBL8863938 0.90 TMPRSS15 (0.36) F2F10PDK1ITGB3ITGA2B
SCHEMBL9254692 0.89 F10 (0.34) F2F10PDK1PRSS1USP2
SCHEMBL9257250 0.88 PDK1 (0.31) PDK1RAB9ANPC1
SCHEMBL9255067 0.87 PDK1 (0.33) PDK1EP300RAB9ASMN1; SMN2NPC1
SCHEMBL9568440 0.86 ITGB3 (0.39) F2F10PDK1ITGB3ITGA2B
SCHEMBL9251525 0.85 MIF (0.37) PDK1ITGB3ITGA2BNPC1
SCHEMBL9255073 0.83 PIK3CA (0.32) F2F10RAB9ASMN1; SMN2NPC1
SCHEMBL9253978 0.82 ITGB3 (0.37) F2F10PDK1ITGB3ITGA2B
SCHEMBL9250531 0.82 F2 (0.35) F2PDK1ITGB3ITGA2BPRSS1

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