SCHEMBL8986860

SCHEMBL8986860

O=C(Nc1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.53
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HTT P42858 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.47

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
SCHEMBL8986849 0.84 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1KMT2AMEN1TP53
SCHEMBL8986852 0.83 SMN1; SMN2 (0.58) L3MBTL1ALDH1A1KMT2AMEN1TP53
SCHEMBL8986845 0.83 SMN1; SMN2 (0.59) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8986858 0.83 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1KMT2AMEN1TP53
SCHEMBL8986883 0.83 KMT2A (0.70) L3MBTL1ALDH1A1KMT2AMEN1TP53
SCHEMBL9323081 0.81 NAMPT (0.49) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8986838 0.81 NPC1 (0.62) ALDH1A1KMT2AMEN1IGF1RSMN1; SMN2
SCHEMBL8986865 0.81 KMT2A (0.53) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9321855 0.78 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1KMT2AMEN1TP53
SCHEMBL9323136 0.78 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572782-B1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID CO (US) 1996-06-26 — — EP disclosed
US-5354755-A Agricultural uses AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US disclosed
US-5276038-A 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-01-04 — — US disclosed
EP-0572782-A1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-12-08 — — EP disclosed
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