SCHEMBL2556060

SCHEMBL2556060

CN(C)c1cccc(-c2nnc(N3CCCCC3)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PTPN11 Q06124 1/20 0.44

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
SCHEMBL12288906 0.81 SMN1; SMN2 (0.53) HRH3KDM4ENPC1ALDH1A1TP53
SCHEMBL2573646 0.81 SMN1; SMN2 (0.67) HRH3KDM4ENPC1ALDH1A1TP53
SCHEMBL2559530 0.71 AOC3 (0.55)
SCHEMBL12244840 0.71 HRH3 (0.66) HRH3PTPN11
SCHEMBL12244986 0.70 HRH3 (1.00) HRH3
SCHEMBL12244934 0.70 HRH3 (0.65) HRH3PTPN11
SCHEMBL12244842 0.70 HRH3 (0.58) HRH3PTPN11
SCHEMBL12244883 0.69 HRH3 (0.67) HRH3PTPN11
SCHEMBL12244482 0.69 HRH3 (1.00) HRH3
SCHEMBL12244806 0.69 HRH3 (0.76) HRH3

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-2011130515-A1 ARYLTHIAZOLYL PIPERIDINES AND RELATED COMPOUNDS AS MODULATORS OF SURVIVAL MOTOR NEURON (SMN) PROTEIN PRODUCTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-20 WO disclosed