SCHEMBL11163429

SCHEMBL11163429

O=c1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KMT2A Q03164 4/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CFTR P13569 2/20 0.42
▸ F2R P25116 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ F2RL3 Q96RI0 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ ACHE P22303 3/20 0.41
▸ BACE1 P56817 3/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL11604828 0.85 KMT2A (0.60) L3MBTL1KMT2AOPRK1MAPTMEN1
SCHEMBL11469865 0.84 L3MBTL1 (0.53) L3MBTL1KMT2AOPRK1MAPTMEN1
SCHEMBL3471111 0.84 L3MBTL1 (0.55) L3MBTL1KMT2AOPRK1CFTR
SCHEMBL11160397 0.83 L3MBTL1 (0.57) L3MBTL1KMT2AOPRK1MAPTMEN1
SCHEMBL11167732 0.83 MAPT (0.61) L3MBTL1KMT2AOPRK1MAPTMEN1
SCHEMBL11864375 0.83 MAPT (0.40) L3MBTL1KMT2AMAPTMEN1LMNA
SCHEMBL11868954 0.83 CHEK1 (0.43) L3MBTL1KMT2AMAPTMEN1LMNA
SCHEMBL11462895 0.82 MAPT (0.44) MAPTLMNAPOLB
SCHEMBL11861596 0.82 L3MBTL1 (0.59) L3MBTL1KMT2AOPRK1MAPTMEN1
SCHEMBL11163440 0.82 CFTR (0.54) L3MBTL1KMT2AOPRK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4202895-A 1-Polyhaloalkyl-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 — — US claimed
US-4387223-A Process for preparing 2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-07 — — US disclosed
US-4202895-A 1-Polyhaloalkyl-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 — — US disclosed
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