SCHEMBL9725489

SCHEMBL9725489

CCOC(=O)Nc1ccc(Cl)cc1N(CCN(C)C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 5/20 0.42
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
MEN1 O00255 3/20 0.41
UTS2R Q9UKP6 1/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9725391 0.89 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725494 0.86 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725398 0.86 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9827552 0.85 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725366 0.83 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725414 0.83 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725485 0.82 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725378 0.80 DPP4 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725365 0.79 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9725425 0.78 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed