SCHEMBL31448632

SCHEMBL31448632

Cc1ccccc1Cc1c(F)ccc(Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
KDR P35968 3/20 0.35
FLT1 P17948 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ACHE P22303 1/20 0.34
USP2 O75604 1/20 0.33
EGFR P00533 2/20 0.33
HPGD P15428 1/20 0.33
AOC3 Q16853 1/20 0.33
PDGFRB P09619 1/20 0.32
CCR2 P41597 1/20 0.32
HTR6 P50406 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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) TAAR1AOC3NPC1HTTL3MBTL1
SCHEMBL31448628 0.80 TAAR1 (0.36) TAAR1KDRFLT1ALDH1A1ACHE
SCHEMBL31448506 0.72 L3MBTL1 (0.40) TAAR1ALDH1A1HPGDAOC3NPC1
SCHEMBL31448641 0.72 SMN1; SMN2 (0.40) TAAR1ALDH1A1AOC3
SCHEMBL30885500 0.72 ALDH1A1 (0.54) TAAR1KDRLTA4HALDH1A1EGFR
SCHEMBL31448377 0.70 MPO (0.36) ALDH1A1
SCHEMBL28833486 0.69 TAAR1 (0.40) TAAR1ALDH1A1ACHE
SCHEMBL30912247 0.69 ALDH1A1 (0.50) TAAR1ALDH1A1
SCHEMBL20084088 0.68 ACHE (0.54) TAAR1ALDH1A1ACHEAOC3
SCHEMBL8086373 0.67 TAAR1 (0.48) TAAR1LTA4HALDH1A1ACHEUSP2

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