SCHEMBL4753012

SCHEMBL4753012

COC(=O)c1ccsc1NC(=O)CBr

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 3/20 0.60
POLB P06746 2/20 0.55
CNR2 P34972 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.52
MAPK10 P53779 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
MAPK8 P45983 1/20 0.47

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
SCHEMBL4752212 0.88 NPC1 (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13789666 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7930548 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11578842 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13040501 0.81 KMT2A (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL31469807 0.81 KDM4E (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5063495 0.81 KMT2A (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4958305 0.80 NPC1 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4066836 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL23413572 0.79 NPC1 (0.76) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed