SCHEMBL11548824

SCHEMBL11548824

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1Cc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CFTR P13569 5/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PDE4A P27815 1/20 0.38

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
SCHEMBL3472479 0.89 CFTR (0.56) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL11544946 0.85 L3MBTL1 (0.48) L3MBTL1CFTRKMT2AOPRK1CYP19A1
SCHEMBL11550177 0.85 L3MBTL1 (0.52) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL3471111 0.83 L3MBTL1 (0.55) L3MBTL1CFTRKMT2AOPRK1ALOX5
SCHEMBL11604828 0.80 KMT2A (0.60) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL11159597 0.79 L3MBTL1 (0.53) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL11540068 0.79 L3MBTL1 (0.50) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL11167732 0.78 MAPT (0.61) L3MBTL1KMT2AOPRK1MAPTHPGD
SCHEMBL11160397 0.78 L3MBTL1 (0.57) L3MBTL1CFTRKMT2AOPRK1MAPT
SCHEMBL3470351 0.78 CFTR (0.57) L3MBTL1CFTRKMT2AOPRK1MAPT

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
Send feedback