SCHEMBL9254628

SCHEMBL9254628

N=C(N)c1ccc(-c2cc(=O)n(-c3ccc(CCC(=O)O)cc3)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.57
ITGA2B P08514 12/20 0.57
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9254812 1.00 ITGB3 (0.57) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL9251193 0.87 MAPT (0.47) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL9568473 0.87 MAPT (0.47) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL9253224 0.85 MAPT (0.47) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL9254967 0.84 ITGB3 (0.44) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL9258402 0.79 MAPT (0.48) ITGB3ITGA2BMAPTKMT2AMEN1
SCHEMBL7274553 0.78 ITGB3 (0.57) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7284791 0.78 ITGB3 (0.57) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7118598 0.76 ITGB3 (0.74) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9253873 0.75 ITGB3 (0.56) ITGB3ITGA2BF10F2PRSS1

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