SCHEMBL9259290

SCHEMBL9259290

COC(=O)CCc1ccc(-c2nc(-c3ccc(C(=O)OC)cc3C(=N)N)c[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
HDAC1 Q13547 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
TMPRSS15 P98073 3/20 0.34
TP53 P04637 1/20 0.34
CHEK2 O96017 1/20 0.34
PDGFRB P09619 1/20 0.34
CCR9 P51686 1/20 0.34
PTGES O14684 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 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
SCHEMBL9257084 0.83 F2 (0.41) F2F10PRSS1HDAC1TMPRSS15
SCHEMBL9568559 0.83 F2 (0.41) F2F10PRSS1HDAC1TMPRSS15
Hydrochloric Acid SCHEMBL9254356 0.83 F2 (0.40) F2F10PRSS1HDAC1TMPRSS15
SCHEMBL9257107 0.81 F2 (0.37) F2F10PRSS1HDAC1ALDH1A1
SCHEMBL9259285 0.76 HRH3 (0.35) F2F10PRSS1HDAC1IDO1
Hydrochloric Acid SCHEMBL9248763 0.74 SIRT2 (0.38) F2F10PRSS1HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL9250343 0.73 HDAC1 (0.41) HDAC1
SCHEMBL9254257 0.72 HDAC1 (0.33) F2F10PRSS1HDAC1ALDH1A1
SCHEMBL9253103 0.72 ALOX5 (0.38) F2F10PRSS1ALDH1A1KDM4E
SCHEMBL9433736 0.72 F2 (0.37) F2F10PRSS1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
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