SCHEMBL2561749

SCHEMBL2561749

CC(C)COc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 11/20 0.53
NPC1 O15118 9/20 0.53
LMNA P02545 7/20 0.52
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
ABL1 P00519 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ROCK1 Q13464 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
SCHEMBL2559911 0.89 LMNA (0.66) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2557032 0.87 KDM4E (0.56) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2553329 0.85 RAB9A (0.67) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2557284 0.83 F10 (0.56) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2556997 0.82 KDM4E (0.63) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL2562374 0.81 RAB9A (0.59) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL2558993 0.81 KDM4E (0.56) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2560460 0.80 KDM4E (0.61) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2559582 0.80 KDM4E (0.86) KDM4ERAB9ANPC1LMNAMAPK1
SCHEMBL2557090 0.80 KDM4E (0.63) KDM4ERAB9ANPC1LMNASMN1; SMN2

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