SCHEMBL4752212

SCHEMBL4752212

COC(=O)c1ccsc1NC(=O)CCBr

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.52
MAPK10 P53779 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
CNR2 P34972 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK8 P45983 1/20 0.45

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
SCHEMBL4753012 0.88 KMT2A (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4958305 0.84 NPC1 (0.65) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13789666 0.81 KMT2A (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7930548 0.81 KMT2A (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5296521 0.81 NPC1 (0.77) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11578842 0.79 KMT2A (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL31469807 0.79 KDM4E (0.61) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13040501 0.79 KMT2A (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5063495 0.79 KMT2A (0.64) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4749278 0.78 NPC1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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