SCHEMBL10492248

SCHEMBL10492248

[c]1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.67
▸ HMOX1 P09601 1/20 0.60
▸ TBXAS1 P24557 4/20 0.60
▸ PRKCI P41743 1/20 0.49
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL10496235 0.90 TBXAS1 (0.56) CYP19A1HMOX1TBXAS1KMT2A
SCHEMBL3160306 0.83 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1
SCHEMBL12045347 0.82 HMOX1 (0.84) CYP19A1HMOX1TBXAS1PRKCIKMT2A
Hydrochloric Acid SCHEMBL411704 0.81 CYP19A1 (0.69) CYP19A1HMOX1TBXAS1
Hydrochloric Acid SCHEMBL9996059 0.81 HMOX1 (0.81) CYP19A1HMOX1TBXAS1KMT2A
SCHEMBL5655551 0.80 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1KMT2A
SCHEMBL2749075 0.80 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1
SCHEMBL19390253 0.80 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1PRKCI
SCHEMBL20570009 0.80 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1
SCHEMBL11404089 0.80 HMOX1 (0.91) CYP19A1HMOX1TBXAS1

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 5 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
US-4464382-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 — — US disclosed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 — — EP disclosed
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