SCHEMBL11544946

SCHEMBL11544946

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE5A O76074 2/20 0.48
▸ CFTR P13569 6/20 0.46
▸ CYP19A1 P11511 3/20 0.46
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ ALOX5 P09917 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL3471111 0.91 L3MBTL1 (0.55) L3MBTL1CFTRALOX5PTGS2OPRK1
SCHEMBL11550177 0.90 L3MBTL1 (0.52) L3MBTL1CFTRCYP19A1ALOX5PTGS2
SCHEMBL11548824 0.85 L3MBTL1 (0.47) L3MBTL1PDE5ACFTRCYP19A1ALOX5
SCHEMBL3472479 0.82 CFTR (0.56) L3MBTL1CFTRCYP19A1ALOX5PTGS2
SCHEMBL11604828 0.81 KMT2A (0.60) L3MBTL1CFTRCYP19A1OPRK1KMT2A
SCHEMBL11159597 0.80 L3MBTL1 (0.53) L3MBTL1CFTRCYP19A1OPRK1KMT2A
SCHEMBL11540068 0.80 L3MBTL1 (0.50) L3MBTL1CFTRALOX5PTGS2OPRK1
SCHEMBL11167732 0.79 MAPT (0.61) L3MBTL1CYP19A1OPRK1KMT2A
SCHEMBL11160397 0.79 L3MBTL1 (0.57) L3MBTL1CFTRCYP19A1ALOX5PTGS2
SCHEMBL3469784 0.79 CFTR (0.57) L3MBTL1CFTRCYP19A1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 — — US disclosed
US-4146717-A NITROQUINAZOLINONE COMPOUNDS HAVING ANTIVIRAL PROPERTIES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-03-27 — — US disclosed
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