SCHEMBL2556748

SCHEMBL2556748

O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CFTR P13569 2/20 0.56
ABL1 P00519 1/20 0.54
SIRT5 Q9NXA8 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
TRPA1 O75762 2/20 0.52
MAPT P10636 4/20 0.52
JAK2 O60674 1/20 0.52
MAPK1 P28482 1/20 0.52
TRPV3 Q8NET8 1/20 0.51
TRPV4 Q9HBA0 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2560048 0.88 KDM4E (0.60) NPC1RAB9AABL1SIRT5CSNK2A2
SCHEMBL2557829 0.86 RAB9A (0.61) NPC1RAB9ACFTRABL1SIRT5
SCHEMBL2557289 0.84 RAB9A (0.61) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL2559105 0.84 RAB9A (0.61) NPC1RAB9AABL1CSNK2A2CSNK2B
SCHEMBL2558907 0.84 ABL1 (0.65) NPC1RAB9ACFTRABL1TRPA1
SCHEMBL2562338 0.83 RAB9A (0.63) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL2557090 0.82 KDM4E (0.63) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL2561621 0.82 KDM4E (0.67) NPC1RAB9AABL1CSNK2A2CSNK2B
SCHEMBL2559658 0.81 RAB9A (0.61) NPC1RAB9AABL1MAPTKDM4E
SCHEMBL2558952 0.81 NPC1 (0.88) NPC1RAB9AABL1SIRT5CSNK2A1

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