SCHEMBL31234945

SCHEMBL31234945

O=c1c(Br)coc2cccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
MAOB P27338 11/20 0.37
ELANE P08246 1/20 0.36
MAOA P21397 3/20 0.35
ADORA2A P29274 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
ABL2 P42684 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28588504 0.79 TTR (0.43) TTRMAOBMAOAADORA2AMEN1
SCHEMBL29277381 0.76 PTPN1 (0.56) TTRMAOBMAOAMEN1KMT2A
SCHEMBL23467148 0.74 ALDH1A1 (0.36) MAOBELANEMAOAMEN1KMT2A
SCHEMBL9755704 0.72 EGFR (0.46) MAOBMAOAMEN1KMT2AEGFR
SCHEMBL29645464 0.70 MAOB (0.32) MAOBMAOA
SCHEMBL28799655 0.70 MAOB (0.32) MAOBMAOA
SCHEMBL2095747 0.69 PSMB8 (0.32) TTRMAOBMAOA
SCHEMBL2091327 0.69 KCNA3 (0.37) TTRMAOBELANEADORA2AALDH1A1
SCHEMBL29853208 0.69 KCNA3 (0.37) TTRMAOBELANEADORA2AALDH1A1
SCHEMBL312373 0.69 MAOB (0.56) MAOBMAOAALDH1A1HPGDSMN1; 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
WO-2024242254-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2024-11-28 WO disclosed