SCHEMBL27737313

SCHEMBL27737313

O=C(O)c1ccc(CCNc2nccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SCD O00767 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KDM4E B2RXH2 4/20 0.44
FFAR2 O15552 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL378169 0.82 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7489025 0.80 ALOX15 (0.51) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL19981514 0.79 MAPT (0.50) SMN1; SMN2L3MBTL1NPC1RAB9AKDM4E
SCHEMBL10748367 0.76 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1NPC1RAB9AKDM4E
SCHEMBL18912556 0.76 HDAC1 (0.55) NPC1RAB9ACSNK2A1KDM4EMEN1
SCHEMBL27716401 0.75 HDAC1 (0.48) SMN1; SMN2NPC1KDM4EMEN1KMT2A
SCHEMBL1180559 0.74 GAA (0.55) SMN1; SMN2L3MBTL1NPC1RAB9ASCD
SCHEMBL4290771 0.74 NPC1 (0.79) SMN1; SMN2L3MBTL1NPC1RAB9ASCD
SCHEMBL12181081 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1NPC1RAB9AKDM4E
SCHEMBL4881057 0.73 AOC3 (0.64) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
CN-101273023-A 5-substituted thiazol-2-ylamino compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-24 CN disclosed