SCHEMBL2559636

SCHEMBL2559636

CN1CCN(c2ccc(-c3csc(N4CCCCC4)n3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
AR P10275 5/20 0.63
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
NPC1 O15118 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8043279 0.83 RAB9A (0.61) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL14183837 0.81 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL7369256 0.80 HTR2A (0.56) RAB9ASMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL2558958 0.80 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12289897 0.80 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12632067 0.80 ALDH1A1 (0.56) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL12669971 0.80 ALDH1A1 (0.56) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL2157208 0.79 ALDH1A1 (0.58) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL19627013 0.79 RAB9A (0.60) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL12288921 0.79 RAB9A (1.00) RAB9ASMN1; SMN2ARTP53ALOX15

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