SCHEMBL11167732

SCHEMBL11167732

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1CCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ POLB P06746 2/20 0.61
▸ ATM Q13315 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ F2RL3 Q96RI0 3/20 0.50
▸ F2R P25116 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP19A1 P11511 1/20 0.44
▸ ACHE P22303 3/20 0.44
▸ BACE1 P56817 3/20 0.44
▸ DYRK1A Q13627 1/20 0.43

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
SCHEMBL11160397 0.89 L3MBTL1 (0.57) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11861596 0.88 L3MBTL1 (0.59) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11604828 0.86 KMT2A (0.60) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11638539 0.86 L3MBTL1 (0.57) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL3471111 0.85 L3MBTL1 (0.55) L3MBTL1KMT2AOPRK1
SCHEMBL11862644 0.84 KMT2A (0.54) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11160245 0.84 L3MBTL1 (0.55) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11634947 0.84 MAPT (0.56) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11469865 0.83 L3MBTL1 (0.53) MAPTPOLBATML3MBTL1SMN1; SMN2
SCHEMBL11163429 0.83 L3MBTL1 (0.53) MAPTPOLBATML3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4387223-A Process for preparing 2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-07 — — US disclosed
US-4096144-A Process for preparing quinazolinone derivatives and their 2-(N-mono-substituted amino)-phenyl ketone intermediate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-06-20 — — US disclosed
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