SCHEMBL11643156

SCHEMBL11643156

CC(CCc1ccc(Cl)cc1Cl)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.44
PGGT1B P53609 3/20 0.44
CYP19A1 P11511 3/20 0.42
CYP2C9 P11712 6/20 0.42
IDO1 P14902 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 4/20 0.42
ADRA2A P08913 3/20 0.42
ADORA3 P0DMS8 3/20 0.42
CHRM1 P11229 3/20 0.42
ADRA2B P18089 3/20 0.42
CHRM3 P20309 3/20 0.42
TACR2 P21452 3/20 0.42
SLC6A2 P23975 3/20 0.42
TBXAS1 P24557 3/20 0.42
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
DRD3 P35462 3/20 0.42
OPRD1 P41143 3/20 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
SCHEMBL11642742 0.93 CYP19A1 (0.41) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11638388 0.89 FNTA (0.48) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11640324 0.89 TP53 (0.43) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11642005 0.87 FNTA (0.45) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11644462 0.86 IDO1 (0.42) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11647098 0.85 IDO1 (0.46) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11639993 0.85 FNTA (0.43) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11641382 0.85 IDO1 (0.46) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11641748 0.85 IDO1 (0.41) FNTAPGGT1BCYP19A1CYP2C9IDO1
SCHEMBL11641524 0.85 FNTA (0.47) FNTAPGGT1BCYP19A1CYP2C9IDO1

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
US-4123542-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOAL AGENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 US disclosed