SCHEMBL7353094

SCHEMBL7353094

CCOC(=O)CN(C(=O)Oc1ccc2c(c1)c(C(=O)CCc1ccc(C#N)cc1)cn2C)c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
USP14 P54578 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.33
PSMB5 P28074 1/20 0.33
KMT2A Q03164 3/20 0.33
ABCB1 P08183 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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
SCHEMBL7352796 0.93 GAA (0.35) ELANEUSP14HTR3EHTR3BHTR3A
SCHEMBL7356973 0.89 USP14 (0.33) ELANEUSP14HTR3EHTR3BHTR3A
SCHEMBL7354323 0.88 USP14 (0.38) USP14MAPTTDP1CYP19A1CACNA1H
SCHEMBL7356649 0.86 USP14 (0.37) USP14MAPTTDP1CYP19A1PSMB5
SCHEMBL7359771 0.85 PSMB5 (0.39) USP14MAPTTDP1CYP19A1PSMB5
SCHEMBL7362376 0.85 KMT2A (0.39) USP14MAPTTDP1CYP19A1KMT2A
SCHEMBL7361404 0.84 USP14 (0.34) ELANEUSP14HTR3EHTR3BHTR3A
SCHEMBL7360796 0.84 USP14 (0.37) USP14MAPTTDP1CYP19A1POLB
SCHEMBL7354501 0.82 USP14 (0.39) USP14MAPTALDH1A1POLBL3MBTL1
SCHEMBL7359804 0.82 SMN1; SMN2 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C

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