SCHEMBL10492343

SCHEMBL10492343

[c]1ccc(Cn2ccnc2)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 14/20 0.49
▸ CYP11B2 P19099 12/20 0.49
▸ CYP19A1 P11511 9/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ QPCT Q16769 1/20 0.47
▸ CYP4Z1 Q86W10 1/20 0.47
▸ QPCTL Q9NXS2 1/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46

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
SCHEMBL9219749 0.70 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL29107867 0.70 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL160611 0.69 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10492247 0.69 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL1024261 0.69 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13907297 0.68 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13105237 0.68 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL21415903 0.68 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2POLB
Hydrochloric Acid SCHEMBL1775141 0.67 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL28750656 0.67 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 — — US disclosed
US-4791126-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredients ONO PHARMACEUTICAL CO., LTD. (JP) 1988-12-13 — — US disclosed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 — — EP disclosed
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