SCHEMBL7637544

SCHEMBL7637544

Cc1ccccc1CNC(C)[C@@H](O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
LMNA P02545 5/20 0.57
NPSR1 Q6W5P4 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 3/20 0.54
ADRA1A P35348 2/20 0.51
ADRA2C P18825 2/20 0.51
HTR2A P28223 2/20 0.51
CHRM2 P08172 1/20 0.51
RGS12 O14924 1/20 0.51
GLA P06280 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL7637540 1.00 KMT2A (0.58) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7632815 0.85 MEN1 (0.56) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7632818 0.85 MEN1 (0.56) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7637533 0.83 MEN1 (0.72) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7637536 0.83 MEN1 (0.72) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7637808 0.80 ATM (0.66) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL7637812 0.80 ATM (0.66) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL3679074 0.80 SMN1; SMN2 (0.57) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL3679075 0.80 SMN1; SMN2 (0.57) KMT2AMEN1CYP2D6CYP2C19CYP1A2
SCHEMBL5270097 0.80 LMNA (0.79) KMT2AMEN1CYP2D6CYP2C19CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 US claimed
US-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 US disclosed