SCHEMBL7360796

SCHEMBL7360796

CCOC(=O)CN(C(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C#N)cc1)cn2C)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP14 P54578 3/20 0.37
KDM1A O60341 3/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.33
CHRNA7 P36544 2/20 0.32
YAP1 P46937 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP19A1 P11511 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ITK Q08881 1/20 0.32
HAT1 O14929 1/20 0.31
EP300 Q09472 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
SCHEMBL7354501 0.96 USP14 (0.39) USP14CCR5MAPTPOLBRXFP1
SCHEMBL7354323 0.88 USP14 (0.38) USP14MAPTTDP1CYP19A1FNTA
Hydrochloric Acid SCHEMBL7360554 0.87 F2 (0.37)
SCHEMBL7356649 0.87 USP14 (0.37) USP14MAPTTDP1CYP19A1FNTA
SCHEMBL7359771 0.86 PSMB5 (0.39) USP14MAPTTDP1CYP19A1FNTA
SCHEMBL7353094 0.84 ELANE (0.35) USP14MAPTTDP1POLBCYP19A1
Hydrochloric Acid SCHEMBL7350521 0.84 POLB (0.37) MAPTPOLBRXFP1
SCHEMBL7352796 0.82 GAA (0.35) USP14MAPTTDP1POLB
SCHEMBL7356973 0.81 USP14 (0.33) USP14MAPTTDP1CYP19A1
SCHEMBL7362376 0.81 KMT2A (0.39) USP14MAPTTDP1POLBCYP19A1

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