SCHEMBL6868947

SCHEMBL6868947

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)nc2ccccc12.NC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.57
KMT2A Q03164 4/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP30 Q70CQ3 2/20 0.49
GLA P06280 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PKM P14618 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6456853 0.95 KLK7 (0.62) KLK7KMT2ARAB9AMEN1KDM4E
SCHEMBL6456858 0.95 KLK7 (0.62) KLK7KMT2ARAB9AMEN1KDM4E
SCHEMBL6875964 0.85 GAA (0.52) KLK7KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6875969 0.85 GAA (0.52) KLK7KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6879647 0.82 MCHR1 (0.49) RAB9AKDM4ESMN1; SMN2GLARECQL
SCHEMBL6879650 0.82 MCHR1 (0.49) RAB9AKDM4ESMN1; SMN2GLARECQL
SCHEMBL6877538 0.81 MCHR1 (0.53) RAB9A
SCHEMBL6877534 0.81 MCHR1 (0.53) RAB9A
SCHEMBL6879865 0.81 MCHR1 (0.57) RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL6879862 0.81 MCHR1 (0.57) RAB9AKDM4ESMN1; SMN2LMNA

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed