SCHEMBL2560153

SCHEMBL2560153

CC(C)Oc1cccc(-c2csc(NC(=O)C3CCNCC3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ABL1 P00519 3/20 0.52
ROCK1 Q13464 2/20 0.52
ROCK2 O75116 1/20 0.52
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL2558952 0.90 NPC1 (0.88) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2557032 0.90 KDM4E (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2562338 0.83 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2559105 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2558907 0.82 ABL1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2557829 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2557289 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2559658 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2560567 0.81 MKNK1 (0.57) RAB9ANPC1ABL1SLC5A1
SCHEMBL2557275 0.81 SLC5A1 (0.48) RAB9ANPC1ABL1SLC5A1

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 claimed