SCHEMBL9250757

SCHEMBL9250757

COC(=O)CCc1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.51
RPS6KB2 Q9UBS0 1/20 0.49
HPGD P15428 1/20 0.42
TMPRSS15 P98073 7/20 0.42
PRSS1 P07477 2/20 0.40
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL9253071 0.86 NQO2 (0.56) NQO2TMPRSS15PRSS1F2F10
SCHEMBL9251460 0.84 NQO2 (0.56) NQO2RPS6KB2TMPRSS15PRSS1
SCHEMBL14340893 0.80 RPS6KB2 (0.64) NQO2RPS6KB2HPGD
SCHEMBL9254531 0.76 TMPRSS15 (0.43) NQO2HPGDTMPRSS15PRSS1F2
SCHEMBL9257420 0.75 F2 (0.48) NQO2TMPRSS15PRSS1F2F10
SCHEMBL9254014 0.75 NQO2 (0.55) NQO2HPGDTMPRSS15PRSS1
SCHEMBL9253124 0.75 F2 (0.45) TMPRSS15PRSS1F2F10
SCHEMBL9248073 0.74 GAA (0.43) TMPRSS15
Hydrochloric Acid SCHEMBL9254391 0.74 ST14 (0.54) PRSS1F2F10
SCHEMBL9250170 0.73 NQO2 (0.61) NQO2HPGDTMPRSS15PRSS1F2

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