SCHEMBL12288902

SCHEMBL12288902

C/C=C\C=C(/C)C(=O)N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 8/20 0.52
LMNA P02545 6/20 0.52
MAPK1 P28482 5/20 0.52
HTT P42858 3/20 0.48
ESR1 P03372 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2559492 0.83 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2557601 0.79 SMN1; SMN2 (0.70) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2553916 0.75 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL12290020 0.74 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2553847 0.72 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL18711653 0.72 MAPT (0.76) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2557594 0.72 MAPK1 (0.77) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2556930 0.72 MAPT (0.81) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL12288921 0.71 RAB9A (1.00) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL2557793 0.71 RAB9A (1.00) SMN1; SMN2RAB9AMEN1KMT2ANPC1

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