SCHEMBL7359771

SCHEMBL7359771

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.39
USP14 P54578 5/20 0.38
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
PLA2G4A P47712 2/20 0.32
CACNA1H O95180 1/20 0.32
ATM Q13315 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) USP14MAPTTDP1CYP19A1MTNR1A
SCHEMBL7356649 0.88 USP14 (0.37) PSMB5USP14MAPTTDP1CYP19A1
Hydrochloric Acid SCHEMBL7355413 0.86 F2 (0.38)
SCHEMBL7360796 0.86 USP14 (0.37) USP14MAPTTDP1CYP19A1FNTA
SCHEMBL7353094 0.85 ELANE (0.35) PSMB5USP14MAPTTDP1CYP19A1
SCHEMBL7354501 0.84 USP14 (0.39) USP14MAPT
SCHEMBL7352796 0.83 GAA (0.35) USP14MAPTTDP1TSHRSMN1; SMN2
SCHEMBL7356973 0.82 USP14 (0.33) PSMB5USP14MAPTTDP1CYP19A1
SCHEMBL7362376 0.82 KMT2A (0.39) USP14MAPTTDP1CYP19A1SMN1; SMN2
SCHEMBL7358416 0.80 PLA2G4A (0.38) CYP19A1MTNR1AMTNR1BLMNATSHR

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