SCHEMBL10369697

SCHEMBL10369697

CCCCOC(=O)Nc1ccc2cnn(Cc3ccc(C(=O)OC)cc3OC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
CASP1 P29466 1/20 0.52
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TLR7 Q9NYK1 1/20 0.42
EGFR P00533 2/20 0.41

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
SCHEMBL9479140 0.93 CYSLTR2 (0.54) CYSLTR2CYSLTR1RAB9ANPC1CASP1
SCHEMBL9806734 0.85 CYSLTR1 (0.74) CYSLTR2CYSLTR1ALDH1A1GAAKMT2A
SCHEMBL9479611 0.84 EPHX2 (0.57) RAB9ANPC1CASP1HPGDALDH1A1
SCHEMBL9806759 0.84 CYSLTR2 (0.47) CYSLTR2CYSLTR1ALDH1A1KDM4EMAPT
SCHEMBL9480363 0.82 CYSLTR2 (0.43) CYSLTR2CYSLTR1RAB9ANPC1CASP1
SCHEMBL8998287 0.82 CYSLTR2 (0.74) CYSLTR2CYSLTR1MAPTMEN1KMT2A
SCHEMBL8951280 0.81 RAB9A (0.52) RAB9ANPC1CASP1HPGDALDH1A1
SCHEMBL9479319 0.79 CYSLTR2 (0.52) CYSLTR2CYSLTR1ALDH1A1L3MBTL1MAPT
SCHEMBL9479142 0.79 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNA
SCHEMBL9479187 0.79 RAB9A (0.51) RAB9ANPC1CASP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed