SCHEMBL2559911

SCHEMBL2559911

CCOc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 8/20 0.57
POLB P06746 2/20 0.57
NPC1 O15118 6/20 0.55
KMT2A Q03164 2/20 0.54
UBE2N P61088 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ABL1 P00519 2/20 0.54
ALOX5 P09917 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 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
SCHEMBL2561749 0.89 KDM4E (0.56) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2553329 0.88 RAB9A (0.67) LMNAMAPK1KDM4ERAB9ANPC1
SCHEMBL2557284 0.86 F10 (0.56) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2557032 0.85 KDM4E (0.56) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2556997 0.84 KDM4E (0.63) LMNAKDM4ERAB9APOLBNPC1
SCHEMBL2562374 0.84 RAB9A (0.59) LMNAKDM4ERAB9APOLBNPC1
SCHEMBL2558993 0.83 KDM4E (0.56) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2559582 0.82 KDM4E (0.86) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2560460 0.82 KDM4E (0.61) LMNAMAPK1KDM4ERAB9APOLB
SCHEMBL2554299 0.82 ABL1 (0.67) LMNAMAPK1KDM4ERAB9APOLB

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