SCHEMBL7136267

SCHEMBL7136267

CCOC(=O)CC(CS(=O)(=O)c1ccc(Sc2ccc(Nc3nccs3)cc2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN8A Q9UQD0 2/20 0.43
SCN1B Q07699 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SCN3A Q9NY46 2/20 0.41
SCN4A P35499 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 3/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7132373 0.89 SCN1A (0.46) SCN1ASCN5ASCN8ASCN1BMEN1
SCHEMBL7078927 0.81 CA12 (0.44) MEN1KMT2ASCN3AALDH1A1HTT
SCHEMBL7074308 0.80 MMP13 (0.45) KMT2AALDH1A1HTTGAAMMP13
SCHEMBL7078046 0.80 DHODH (0.42) ALDH1A1HSD17B10MAPTLMNAMMP13
SCHEMBL7077769 0.75 HSD17B10 (0.39) KMT2AALDH1A1HSD17B10GAAMMP13
SCHEMBL7074900 0.73 F2 (0.45) KMT2AALDH1A1LMNAGAAPOLB
SCHEMBL7073767 0.72 MMP13 (0.49) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL7077549 0.71 DHODH (0.44) ALDH1A1MAPTLMNACYP2C9
SCHEMBL7135328 0.70 GCK (0.47) KMT2ALMNAGAAPOLBSMN1; SMN2
SCHEMBL10625612 0.70 PLA2G7 (0.51) MEN1KMT2AALDH1A1PKMHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed