SCHEMBL31474751

SCHEMBL31474751

Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPT P10636 4/20 0.64
LMNA P02545 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.57
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL9135413 0.89 KMT2A (0.64) HTTSMN1; SMN2MAPTLMNAHPGD
SCHEMBL7372653 0.87 MAPT (0.67) HTTSMN1; SMN2MAPTLMNAHPGD
SCHEMBL18610467 0.86 SMN1; SMN2 (0.64) HTTSMN1; SMN2MAPTLMNAHPGD
SCHEMBL18585818 0.86 MAPT (0.61) HTTSMN1; SMN2MAPTLMNAHPGD
SCHEMBL14075220 0.85 MEN1 (0.71) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL12388857 0.85 TAS1R3 (0.71) HTTSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL7377697 0.84 RAB9A (0.68) HTTSMN1; SMN2MAPTHPGDKMT2A
SCHEMBL20474711 0.83 HTT (0.64) HTTSMN1; SMN2MAPTHPGDTAS1R3
SCHEMBL18585432 0.83 HTT (0.64) HTTSMN1; SMN2MAPTLMNAHPGD
SCHEMBL1548208 0.83 KMT2A (0.68) HTTSMN1; SMN2MAPTLMNAHPGD

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
CN-119707829-A 2-Phenyl-benzo nitrogen-containing heterocyclic compound, and preparation method and application thereof 合肥大学 2025-03-28 CN disclosed