SCHEMBL9734141

SCHEMBL9734141

CNC(=O)c1ccc2sc(S)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
DYRK1A Q13627 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HDAC6 Q9UBN7 11/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PLK1 P53350 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
PLAU P00749 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
SCHEMBL24052027 0.83 RAB9A (0.71) THRBDYRK1ASMN1; SMN2HDAC6NPC1
SCHEMBL31119848 0.82 THRB (0.56) THRBDYRK1ASMN1; SMN2HDAC6NPC1
SCHEMBL9305296 0.82 PIK3CA (0.50) SMN1; SMN2HDAC6NPC1RAB9AHDAC1
SCHEMBL2031602 0.81 NPC1 (0.68) SMN1; SMN2HDAC6NPC1RAB9AHDAC3
SCHEMBL9307022 0.80 RAB9A (0.57) SMN1; SMN2HDAC6NPC1RAB9AHDAC1
SCHEMBL9734495 0.80 SMN1; SMN2 (0.52) SMN1; SMN2HDAC6NPC1RAB9A
SCHEMBL9306708 0.80 NPC1 (0.49) DYRK1ASMN1; SMN2HDAC6NPC1RAB9A
SCHEMBL10760937 0.77 NPC1 (0.47) DYRK1ASMN1; SMN2HDAC6NPC1RAB9A
SCHEMBL10880169 0.75 NPC1 (0.52) SMN1; SMN2NPC1RAB9A
SCHEMBL9734400 0.75 HPGD (0.56) SMN1; SMN2HDAC6NPC1RAB9ATDP1

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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed