SCHEMBL11544376

SCHEMBL11544376

CC(C1=CCNCC1)n1c(=O)nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASR P41180 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KHK P50053 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL11606905 0.80 CASR (0.61) L3MBTL1CASRKMT2AMEN1OPRK1
SCHEMBL11547536 0.79 L3MBTL1 (0.50) L3MBTL1CASRKMT2AMEN1OPRK1
SCHEMBL11542801 0.75 L3MBTL1 (0.46) L3MBTL1CASRKMT2AMEN1OPRK1
SCHEMBL11862638 0.74 L3MBTL1 (0.51) L3MBTL1CASRKMT2AMEN1OPRK1
SCHEMBL11606364 0.73 L3MBTL1 (0.67) L3MBTL1KMT2AMEN1OPRK1MAPT
SCHEMBL13347118 0.70 CASR (0.68) CASRKMT2AMEN1
SCHEMBL11604828 0.70 KMT2A (0.60) L3MBTL1KMT2AMEN1OPRK1MAPT
SCHEMBL11543572 0.70 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1OPRK1MAPT
SCHEMBL13347519 0.69 CASR (0.67) CASRKMT2AMEN1
SCHEMBL11469865 0.68 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1OPRK1MAPT

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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