SCHEMBL31448573

SCHEMBL31448573

Cc1ccc(Br)c([N+](=O)[O-])c1Oc1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 8/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.37
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRC P12931 1/20 0.34
CYP3A4 P08684 2/20 0.33
ERN1 O75460 1/20 0.33
TP53 P04637 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
SCHEMBL31448419 0.86 KMT2A (0.41) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL31448604 0.81 LMNA (0.46) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL30772367 0.80 SMN1; SMN2 (0.36) NPSR1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9092810 0.75 NPSR1 (0.43) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL30772392 0.73 S1PR4 (0.39) LMNAGAAKMT2AMAPTHPGD
SCHEMBL23086266 0.73 PKM (0.43) NPSR1LMNAKMT2AALDH1A1CYP1A2
SCHEMBL2625726 0.70 ERN1 (0.49) LMNAKMT2AALDH1A1MAPTTSHR
SCHEMBL20240592 0.69 NPSR1 (0.55) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL4111651 0.69 HPGD (0.60) NPSR1LMNAGAAKMT2AALDH1A1
SCHEMBL1201334 0.68 NPSR1 (0.61) NPSR1LMNAGAAKMT2AALDH1A1

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