SCHEMBL7356973

SCHEMBL7356973

CCOC(=O)CN(C(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C#N)cc1)cn2C)c1ccncn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP19A1 P11511 1/20 0.31
PSMB5 P28074 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CACNA1H O95180 2/20 0.31
PLA2G4A P47712 2/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL7352796 0.91 GAA (0.35) USP14MAPTTDP1CYP2C9PPARG
SCHEMBL7353094 0.89 ELANE (0.35) USP14MAPTTDP1CYP2C9PPARG
Iodide SCHEMBL7359743 0.88 F10 (0.36)
SCHEMBL7354323 0.84 USP14 (0.38) USP14MAPTTDP1CYP19A1CACNA1H
SCHEMBL7356649 0.83 USP14 (0.37) USP14MAPTTDP1CYP19A1PSMB5
SCHEMBL7359771 0.82 PSMB5 (0.39) USP14MAPTTDP1CYP19A1PSMB5
Iodide SCHEMBL7360807 0.82 NQO2 (0.39)
SCHEMBL7361404 0.81 USP14 (0.34) USP14MAPTTDP1CYP19A1HTR3E
SCHEMBL7360796 0.81 USP14 (0.37) USP14MAPTTDP1CYP19A1
SCHEMBL7362376 0.81 KMT2A (0.39) USP14MAPTTDP1CYP19A1PLA2G4A

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed