SCHEMBL4742792

SCHEMBL4742792

Cc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
NPC1 O15118 6/20 1.00
MEN1 O00255 6/20 1.00
RAB9A P51151 6/20 1.00
L3MBTL1 Q9Y468 2/20 0.58
MAPK10 P53779 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PTPN2 P17706 1/20 0.57
PTPN1 P18031 1/20 0.57
ABCC1 P33527 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL16714080 0.85 KMT2A (0.74) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL6169266 0.85 RAB9A (0.74) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL13789283 0.84 KMT2A (1.00) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL13789346 0.84 KMT2A (0.73) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL4743665 0.84 KMT2A (0.73) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL4515370 0.83 KMT2A (0.71) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL4574106 0.81 MAPK10 (0.72) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL4743658 0.81 NPC1 (0.68) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL23931980 0.79 PTPN2 (0.72) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL16737094 0.78 NPC1 (0.63) KMT2ANPC1MEN1RAB9AALDH1A1

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-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 WO disclosed