SCHEMBL31448641

SCHEMBL31448641

Cc1ccc(Br)c(N)c1Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 1/20 0.39
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
ENPP1 P22413 1/20 0.37
IDO1 P14902 3/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PLA2G7 Q13093 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL31448574 0.81 HTT (0.41) SMN1; SMN2AOC3PNMTTAAR1IDO1
SCHEMBL31448553 0.80 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2APNMTTAAR1
SCHEMBL31448529 0.80 P2RX7 (0.34) SMN1; SMN2SLC6A4
SCHEMBL10798580 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AAOC3
SCHEMBL28219403 0.74 TAAR1 (0.43) SMN1; SMN2ALDH1A1AOC3PNMTTAAR1
SCHEMBL10939079 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AAOC3
SCHEMBL31448632 0.72 TAAR1 (0.41) ALDH1A1AOC3TAAR1
SCHEMBL31448506 0.72 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AAOC3
SCHEMBL7816199 0.69 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PNMTTAAR1ENPP1
SCHEMBL2847057 0.69 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ATAAR1

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