SCHEMBL9256201

SCHEMBL9256201

COC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)cc2Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 9/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
F10 P00742 6/20 0.34
F2 P00734 5/20 0.34
PRSS1 P07477 3/20 0.34
HDAC1 Q13547 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL9250993 0.88 ITGB3 (0.38) TMPRSS15F10F2PRSS1ITGB3
SCHEMBL9252503 0.88 TMPRSS15 (0.35) TMPRSS15PSEN1PSEN2APH1BNCSTN
SCHEMBL9251382 0.86 F10 (0.34) TMPRSS15PSEN1PSEN2APH1BNCSTN
SCHEMBL9257654 0.85 TMPRSS15 (0.33) TMPRSS15PSEN1PSEN2APH1BNCSTN
SCHEMBL9259335 0.85 TMPRSS15 (0.41) TMPRSS15F10F2PRSS1ITGB3
SCHEMBL9251133 0.82 TMPRSS15 (0.41) TMPRSS15F10F2PRSS1HDAC1
SCHEMBL9258214 0.81 TMPRSS15 (0.39) TMPRSS15F10F2PRSS1HDAC1
SCHEMBL8863938 0.78 TMPRSS15 (0.36) TMPRSS15PSEN1PSEN2APH1BNCSTN
SCHEMBL9568428 0.77 TMPRSS15 (0.34) TMPRSS15F10F2PRSS1ITGB3
SCHEMBL9247247 0.77 ITGB3 (0.37) TMPRSS15PSEN1PSEN2APH1BNCSTN

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