SCHEMBL11550177

SCHEMBL11550177

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ CFTR P13569 6/20 0.49
▸ CYP19A1 P11511 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ P2RX4 Q99571 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ MEN1 O00255 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
SCHEMBL3471111 0.94 L3MBTL1 (0.55) L3MBTL1KMT2AOPRK1CFTRALOX5
SCHEMBL11544946 0.90 L3MBTL1 (0.48) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL3472479 0.85 CFTR (0.56) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL11548824 0.85 L3MBTL1 (0.47) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL11160397 0.84 L3MBTL1 (0.57) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL3469784 0.84 CFTR (0.57) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL11604828 0.84 KMT2A (0.60) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL11159597 0.83 L3MBTL1 (0.53) L3MBTL1KMT2AOPRK1CFTRCYP19A1
SCHEMBL11540068 0.83 L3MBTL1 (0.50) L3MBTL1KMT2AOPRK1CFTRALOX5
SCHEMBL11167732 0.82 MAPT (0.61) L3MBTL1KMT2AOPRK1CYP19A1MAPT

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-4146717-A NITROQUINAZOLINONE COMPOUNDS HAVING ANTIVIRAL PROPERTIES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-03-27 — — US disclosed
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