SCHEMBL9850426

SCHEMBL9850426

CC(Cn1ccnc1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 5/20 0.61
CYP19A1 P11511 4/20 0.57
CYP17A1 P05093 2/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9850630 0.92 CYP19A1 (0.52) CYP26A1CYP19A1
SCHEMBL11149385 0.86 CYP19A1 (0.53) CYP26A1CYP19A1CYP11B1CYP11B2
SCHEMBL9850618 0.85 CHRM2 (0.52) CYP26A1CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL9850632 0.84 LMNA (0.51) CYP26A1CYP19A1CYP3A4CYP2C19CYP2D6
SCHEMBL9850662 0.83 CHRM2 (0.54) CYP19A1CYP2D6
SCHEMBL11154374 0.82 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2
SCHEMBL9850587 0.82 POLB (0.52) CYP26A1CYP19A1
SCHEMBL11144915 0.82 CYP19A1 (0.60) CYP19A1CYP3A4CYP1A2
SCHEMBL9850574 0.82 SMN1; SMN2 (0.47) CYP26A1CYP19A1CYP3A4CYP2C19CYP2D6
SCHEMBL9850547 0.81 TBXAS1 (0.49) CYP19A1

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
EP-0423524-A2 Propiophenone derivatives and their preparation and pharmaceutical use MARUHO Co., Ltd. (JP) 1991-04-24 EP disclosed