SCHEMBL31399890

SCHEMBL31399890

O=c1[nH]c(-c2cccc3ccccc23)nc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 5/20 0.61
▸ TNKS O95271 1/20 0.58
▸ NLRP3 Q96P20 1/20 0.58
▸ TNKS2 Q9H2K2 1/20 0.58
▸ PARP2 Q9UGN5 1/20 0.58
▸ NPBWR1 P48145 5/20 0.52
▸ PARP1 P09874 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ EIF4A1 P60842 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AMY1A P0DUB6 1/20 0.46

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
SCHEMBL12591986 0.85 GUSB (0.64) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL2991045 0.83 TNKS (0.73) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL31399869 0.81 TNKS (0.65) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL28135155 0.80 GUSB (0.69) GUSBTNKSTNKS2PARP2PARP1
SCHEMBL14883375 0.80 NPC1 (0.58) GUSBTNKSTNKS2PARP1MAPT
SCHEMBL30665826 0.79 TNKS (0.75) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL786614 0.78 GUSB (0.69) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL4493834 0.78 GUSB (0.52) GUSBTNKSNLRP3TNKS2PARP2
SCHEMBL14877275 0.77 GUSB (0.57) GUSBTNKSTNKS2PARP1MAPT
SCHEMBL14876859 0.77 GUSB (0.63) GUSBTNKSTNKS2PARP1MAPT

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
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