SCHEMBL31399892

SCHEMBL31399892

Nc1nc(-c2cccc3ccccc23)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ABCG2 Q9UNQ0 8/20 0.46
CYP1A2 P05177 1/20 0.46
OPRK1 P41145 1/20 0.44
ACHE P22303 2/20 0.44
ELANE P08246 2/20 0.44
POLB P06746 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
SCHEMBL31399874 0.85 EIF4A1 (0.51) EIF4A1KMT2AMEN1ABCG2CYP1A2
SCHEMBL14529392 0.81 CYP1A1 (0.54) KMT2AMEN1CYP1A2ACHEPOLB
SCHEMBL31399872 0.80 ABCG2 (0.52) KMT2AABCG2OPRK1ELANEPOLB
SCHEMBL31399881 0.80 MEN1 (0.49) KMT2AMEN1ABCG2CYP1A2ACHE
SCHEMBL14529703 0.79 NPC1 (0.46) KMT2AMEN1ABCG2OPRK1ACHE
SCHEMBL31399904 0.75 ABCG2 (0.55) ABCG2
SCHEMBL31399891 0.75 ABCG2 (0.55) ABCG2
SCHEMBL3974935 0.75 ACHE (0.52) ACHE
SCHEMBL27928935 0.74 PTPRC (0.47) EIF4A1KMT2AMEN1CYP1A2ACHE
SCHEMBL31399890 0.74 GUSB (0.61) EIF4A1KMT2AMEN1

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
WO-2025009910-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 부산대학교 산학협력단 2025-01-09 WO disclosed