SCHEMBL25720257

SCHEMBL25720257

Sc1cccc(Cc2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
TAAR1 Q96RJ0 3/20 0.48
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.45
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
CHRM2 P08172 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.42

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
SCHEMBL3300276 0.87 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL11781101 0.87 CALM1 (0.43) PNMTCYP3A4IDO1
SCHEMBL3440698 0.80 CALM1 (0.57) IDO1
SCHEMBL3301781 0.80 PNMT (0.58) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL48358 0.79
Ammonia Solution, Strong SCHEMBL18010559 0.78 PNMT (0.56) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL2093970 0.78 PNMT (0.56) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL18628556 0.77
Water SCHEMBL28356164 0.77
Hydrogen Sulfide SCHEMBL27747276 0.77 ALDH1A1 (0.46) PNMTTAAR1CYP3A4IDO1AGXT

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
EP-4190779-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-06-07 EP disclosed