SCHEMBL31448487

SCHEMBL31448487

CC(C)c1ccccc1Oc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
TBXA2R P21731 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NPY1R P25929 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
SCHEMBL30772401 0.86 L3MBTL1 (0.35) L3MBTL1TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27837254 0.81 TDP1 (0.44) TDP1ALDH1A1HPGDSLC6A2SMN1; SMN2
SCHEMBL31549911 0.76 TDP1 (0.53) L3MBTL1TDP1ALDH1A1HPGDPOLB
SCHEMBL103199 0.76 TDP1 (0.53) L3MBTL1TDP1ALDH1A1HPGDPOLB
SCHEMBL31448604 0.75 LMNA (0.46) L3MBTL1TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28584170 0.75 P2RX3 (0.43) P2RX3P2RX2L3MBTL1ALDH1A1HPGD
SCHEMBL31448548 0.74 P2RX3 (0.50) P2RX3P2RX2L3MBTL1ALDH1A1HPGD
SCHEMBL4575432 0.74 P2RX3 (0.58) P2RX3P2RX2L3MBTL1ALDH1A1HPGD
SCHEMBL29959656 0.74 P2RX3 (0.58) P2RX3P2RX2L3MBTL1ALDH1A1HPGD
SCHEMBL14199924 0.73 TDP1 (0.50) L3MBTL1TDP1ALDH1A1HPGDSMN1; SMN2

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