SCHEMBL7356649

SCHEMBL7356649

CCCN(CC(=O)OCC)C(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C#N)cc1)cn2C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP14 P54578 3/20 0.37
PLA2G4A P47712 9/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PSMB5 P28074 1/20 0.33
CACNA1H O95180 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL7354323 0.90 USP14 (0.38) USP14PLA2G4AMAPTTDP1CYP19A1
SCHEMBL7359771 0.88 PSMB5 (0.39) USP14PLA2G4AMAPTTDP1CYP19A1
SCHEMBL7360796 0.87 USP14 (0.37) USP14MAPTTDP1CYP19A1FNTA
SCHEMBL7359107 0.87 F2 (0.39) PLA2G4A
SCHEMBL7353094 0.86 ELANE (0.35) USP14PLA2G4AMAPTTDP1CYP19A1
Hydrochloric Acid SCHEMBL7360989 0.86 F2 (0.38) PLA2G4A
SCHEMBL7354501 0.85 USP14 (0.39) USP14MAPT
SCHEMBL7362376 0.85 KMT2A (0.39) USP14PLA2G4AMAPTTDP1CYP19A1
SCHEMBL7352796 0.84 GAA (0.35) USP14MAPTTDP1
SCHEMBL7356973 0.83 USP14 (0.33) USP14PLA2G4AMAPTTDP1CYP19A1

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