SCHEMBL11540068

SCHEMBL11540068

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 5/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CFTR P13569 5/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ F2R P25116 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40

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 0.86 L3MBTL1 (0.55) L3MBTL1KMT2AOPRK1CFTRALOX5
SCHEMBL11550177 0.83 L3MBTL1 (0.52) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11604828 0.82 KMT2A (0.60) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL3472479 0.81 CFTR (0.56) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11159597 0.81 L3MBTL1 (0.53) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11167732 0.81 MAPT (0.61) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11160397 0.81 L3MBTL1 (0.57) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL3469784 0.80 CFTR (0.57) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL3470351 0.80 CFTR (0.57) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11861596 0.80 L3MBTL1 (0.59) L3MBTL1KMT2AOPRK1MAPTHPGD

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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