SCHEMBL9645976

SCHEMBL9645976

CC(=O)Nc1ccccc1Cn1c(=O)c2ccccc2n1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.46
▸ FEN1 P39748 2/20 0.44
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3150784 0.73 ALDH1A1 (0.59) TSPOMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL30168125 0.73 ALDH1A1 (0.59) TSPOMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL9645937 0.71 ALOX5 (0.45) FEN1
SCHEMBL17145302 0.69 LMNA (0.37) LMNAKMT2A
SCHEMBL4078853 0.69 GRM5 (0.64) TSHRMEN1KMT2A
SCHEMBL4196369 0.69 ALDH1A1 (0.52) TSPOFEN1MAPTSIRT1MAPK1
SCHEMBL1644965 0.68 MAPK1 (0.59) MAPTMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL5101721 0.67 ALDH1A1 (0.53) TSPOMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL9222061 0.67 ALDH1A1 (0.53) SIRT1MAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL7055476 0.66 ALDH1A1 (0.57) TSPOMAPK1SMN1; SMN2TSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 — — US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 — — EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 — — EP disclosed
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