SCHEMBL30200411

SCHEMBL30200411

NCc1ccccc1ON

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.46
IDO1 P14902 8/20 0.43
TAAR1 Q96RJ0 1/20 0.43
DPP4 P27487 2/20 0.43
HRH1 P35367 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL18683266 1.00 PNMT (0.46) PNMTIDO1TAAR1DPP4HRH1
SCHEMBL6319190 0.82 HRH1 (0.52) PNMTIDO1TAAR1DPP4HRH1
SCHEMBL25609323 0.78 PNMT (0.44) PNMTIDO1TAAR1DPP4HRH1
SCHEMBL12875429 0.78 IDO1 (0.42) IDO1TAAR1HRH1KDM4ESMN1; SMN2
SCHEMBL27795548 0.78 PNMT (0.44) PNMTIDO1TAAR1DPP4HRH1
SCHEMBL29633165 0.78 TAAR1 (0.69) IDO1TAAR1SMN1; SMN2ALDH1A1GAA
SCHEMBL16106140 0.78 PNMT (0.44) PNMTIDO1TAAR1DPP4HRH1
SCHEMBL16124180 0.78 MAPT (0.53) IDO1TAAR1KDM4EHPGDALDH1A1
SCHEMBL39970 0.78 TAAR1 (0.69) IDO1TAAR1SMN1; SMN2ALDH1A1GAA
SCHEMBL27845141 0.78 PNMT (0.44) PNMTIDO1TAAR1DPP4HRH1

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-3689591-B1 LAYERED TUBE UBE CORP (JP) 2023-01-25 EP claimed