SCHEMBL9812342

SCHEMBL9812342

O=C(O)c1ccc2ccc(-n3ccnc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 10/20 0.64
CYP19A1 P11511 2/20 0.60
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60
CYP3A4 P08684 1/20 0.55
BAZ2B Q9UIF8 1/20 0.55
CYP4Z1 Q86W10 1/20 0.53
TBXAS1 P24557 1/20 0.52
HTT P42858 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL9812373 0.95 ADH5 (0.66) ADH5CYP19A1CYP11B1CYP11B2CYP3A4
SCHEMBL62049 0.82 ADH5 (0.90) ADH5CYP3A4BAZ2BCYP4Z1TBXAS1
Hydrochloric Acid SCHEMBL6152702 0.81 ADH5 (0.87) ADH5CYP3A4BAZ2BCYP4Z1TBXAS1
SCHEMBL27893085 0.81 ADH5 (0.87) ADH5CYP3A4BAZ2BCYP4Z1TBXAS1
SCHEMBL29488338 0.80 IDO1 (0.61) ADH5CYP3A4BAZ2BCYP4Z1
SCHEMBL939912 0.80 IDO1 (0.61) ADH5CYP3A4BAZ2BCYP4Z1
SCHEMBL17630068 0.78 ADH5 (1.00) ADH5CYP3A4BAZ2BCYP4Z1HTT
SCHEMBL15021420 0.77 CYP19A1 (0.66) ADH5CYP19A1CYP11B1CYP11B2MAOA
Trifluoroacetic Acid SCHEMBL4413259 0.76 CYP11B1 (0.73) ADH5CYP19A1CYP11B1CYP11B2CYP3A4
Trifluoroacetic Acid SCHEMBL2072297 0.76 CYP11B1 (0.73) ADH5CYP19A1CYP11B1CYP11B2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107971655-B High-heat-resistance organic solder flux and application thereof 永星化工(上海)有限公司 2019-12-27 CN claimed
EP-0433427-A1 COMBINED USE OF N-IMIDAZOLYL DERIVATIVES OF BICYCLIC COMPOUNDS AND CYCLOSPORINE IN THERAPY FARMITALIA CARLO ERBA S.r.l. (IT) 1991-06-26 EP claimed
WO-1991000102-A1 COMBINED USE OF N-IMIDAZOLYL DERIVATIVES OF BICYCLIC COMPOUNDS AND CYCLOSPORINE IN THERAPY FARMITALIA CARLO ERBA S.R.L. (IT) 1991-01-10 WO claimed
CN-107971655-B High-heat-resistance organic solder flux and application thereof 永星化工(上海)有限公司 2019-12-27 CN disclosed
EP-0433427-A1 COMBINED USE OF N-IMIDAZOLYL DERIVATIVES OF BICYCLIC COMPOUNDS AND CYCLOSPORINE IN THERAPY FARMITALIA CARLO ERBA S.r.l. (IT) 1991-06-26 EP disclosed
WO-1991000102-A1 COMBINED USE OF N-IMIDAZOLYL DERIVATIVES OF BICYCLIC COMPOUNDS AND CYCLOSPORINE IN THERAPY FARMITALIA CARLO ERBA S.R.L. (IT) 1991-01-10 WO disclosed
US-4882347-A NEPHROSIS FARMITALIA CARLO ERBA, S.R.L. (IT) 1989-11-21 US disclosed