SCHEMBL9433736

SCHEMBL9433736

COC(=O)CCc1ccc(-n2c(C)c(-c3ccc(C(=O)OC)cc3C(=N)N)[nH]c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 6/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
IDH1 O75874 1/20 0.33
CCR9 P51686 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL7281759 0.82 ITGB3 (0.41) F2F10PRSS1MAPTITGB3
Hydrochloric Acid SCHEMBL7283833 0.82 ITGB3 (0.41) F2F10PRSS1MAPTITGB3
SCHEMBL7274892 0.77 F2 (0.37) F2F10PRSS1CA1CA2
SCHEMBL7282168 0.74 F2 (0.39) F2F10PRSS1CA1CA2
SCHEMBL7385642 0.74 PDE3B (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7274583 0.73 ITGB3 (0.40) F2F10PRSS1CA1CA2
SCHEMBL9257107 0.73 F2 (0.37) F2F10PRSS1CA1CA2
SCHEMBL7281659 0.73 ALDH1A1 (0.39) F2F10PRSS1CA1CA2
SCHEMBL8571837 0.72 ITGB3 (0.40) F2F10PRSS1CA1CA2
SCHEMBL7284381 0.72 ITGB3 (0.55) F2F10PRSS1MAPTITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed