SCHEMBL2553329

SCHEMBL2553329

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
LMNA P02545 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 2/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CDC25A P30304 1/20 0.60
CDC25B P30305 1/20 0.60
CDC25C P30307 1/20 0.60
DUSP3 P51452 1/20 0.60
KDM4E B2RXH2 1/20 0.60
GSTO1 P78417 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
ABL1 P00519 1/20 0.57

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
SCHEMBL2559385 0.90 RAB9A (0.69) RAB9ANPC1LMNAALDH1A1MAPK1
SCHEMBL2559911 0.88 LMNA (0.66) RAB9ANPC1LMNAALDH1A1MAPK1
SCHEMBL2557032 0.88 KDM4E (0.56) RAB9ANPC1LMNAALDH1A1MAPK1
SCHEMBL2558952 0.88 NPC1 (0.88) RAB9ANPC1LMNAALDH1A1HPGD
SCHEMBL18426612 0.87 RAB9A (0.72) RAB9ANPC1LMNAALDH1A1MAPK1
SCHEMBL2556997 0.87 KDM4E (0.63) RAB9ANPC1LMNAALDH1A1HSD17B10
SCHEMBL2558080 0.87 MEN1 (0.68) RAB9ANPC1ALDH1A1MAPK1HPGD
SCHEMBL2562374 0.87 RAB9A (0.59) RAB9ANPC1LMNAALDH1A1HPGD
SCHEMBL18425955 0.86 RAB9A (0.64) RAB9ANPC1LMNAALDH1A1MAPK1
SCHEMBL2558993 0.86 KDM4E (0.56) RAB9ANPC1LMNAALDH1A1MAPK1

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