SCHEMBL9850587

SCHEMBL9850587

CC(Cn1ccnc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TBXAS1 P24557 1/20 0.49
CYP19A1 P11511 3/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP26A1 O43174 5/20 0.45
MT-CO2 P00403 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNIK Q9UKE5 1/20 0.42

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 0.84 CYP19A1 (0.52) POLBTBXAS1CYP19A1ALDH1A1CYP26A1
SCHEMBL9850426 0.82 CYP26A1 (0.61) CYP19A1CYP26A1
SCHEMBL9850634 0.82 L3MBTL1 (0.44) TBXAS1CYP19A1ALDH1A1CYP26A1L3MBTL1
SCHEMBL9850632 0.82 LMNA (0.51) CYP19A1CYP26A1
SCHEMBL11149385 0.81 CYP19A1 (0.53) TBXAS1CYP19A1ALDH1A1GAACYP26A1
SCHEMBL9850618 0.80 CHRM2 (0.52) TBXAS1CYP19A1ALDH1A1CYP26A1
SCHEMBL11144915 0.80 CYP19A1 (0.60) TBXAS1CYP19A1ALDH1A1GAAMAPK1
SCHEMBL9850420 0.79 CYP17A1 (0.55) TBXAS1KDM4ECYP26A1L3MBTL1
SCHEMBL9850662 0.78 CHRM2 (0.54) TBXAS1CYP19A1
SCHEMBL11154374 0.78 CYP19A1 (0.67) TBXAS1CYP19A1ALDH1A1GAAMAPK1

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