SCHEMBL31448419

SCHEMBL31448419

O=Cc1ccccc1Oc1c(Cl)ccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
MEN1 O00255 2/20 0.34
SRC P12931 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL31448573 0.86 NPSR1 (0.43) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL31448604 0.80 LMNA (0.46) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL30772355 0.79 HPGD (0.37) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL30772392 0.70 S1PR4 (0.39) KMT2ALMNAGAAMAPTHPGD
SCHEMBL31453083 0.70 VCAM1 (0.42) KMT2AALDH1A1MEN1VCAM1PMM2
SCHEMBL9092810 0.69 NPSR1 (0.43) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2625726 0.69 ERN1 (0.49) KMT2ALMNAALDH1A1MAPTMEN1
SCHEMBL4111651 0.68 HPGD (0.60) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL24793679 0.67 LMNA (0.60) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL5323516 0.67 LMNA (0.60) KMT2ALMNAGAAALDH1A1MAPT

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-119343332-A 3, 4-Dihydro-quinolin-2 (1H) -one compounds 橘生药品工业株式会社 2025-01-21 CN disclosed