SCHEMBL2558080

SCHEMBL2558080

COc1ccc(-c2csc(NC(=O)C3CCNCC3)n2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
MAPK1 P28482 3/20 0.68
ALDH1A1 P00352 2/20 0.68
ALOX15 P16050 1/20 0.68
HSD17B10 Q99714 1/20 0.68
POLB P06746 4/20 0.66
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 1/20 0.60
NR2F2 P24468 1/20 0.59
HPGD P15428 1/20 0.58
ABL1 P00519 1/20 0.57
PAX8 Q06710 1/20 0.57
STK17B O94768 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
STK17A Q9UEE5 1/20 0.55

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
SCHEMBL2562066 0.88 NPC1 (0.57) MEN1KMT2AMAPK1ALDH1A1ALOX15
SCHEMBL2553329 0.87 RAB9A (0.67) MEN1KMT2AMAPK1ALDH1A1HSD17B10
SCHEMBL19837768 0.84 MEN1 (0.64) MEN1KMT2AMAPK1ALDH1A1ALOX15
SCHEMBL18029526 0.84 MEN1 (0.64) MEN1KMT2AMAPK1ALDH1A1ALOX15
SCHEMBL2558952 0.84 NPC1 (0.88) MEN1KMT2AALDH1A1HSD17B10POLB
SCHEMBL2559385 0.83 RAB9A (0.69) MEN1KMT2AMAPK1ALDH1A1HSD17B10
SCHEMBL2556997 0.83 KDM4E (0.63) MEN1KMT2AALDH1A1HSD17B10POLB
SCHEMBL2557174 0.83 PTK2 (0.57) MEN1KMT2AMAPK1ALDH1A1HSD17B10
SCHEMBL18029531 0.81 MEN1 (1.00) MEN1KMT2AMAPK1ALDH1A1ALOX15
SCHEMBL2553531 0.81 KDM4E (0.61) MEN1KMT2AALDH1A1HSD17B10POLB

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