SCHEMBL7778409

SCHEMBL7778409

O=C(CCc1ccccc1)NCc1cccs1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
LMNA P02545 3/20 0.66
HPGD P15428 8/20 0.64
RAB9A P51151 2/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ENPP2 Q13822 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL28226277 0.84 HPGD (0.77) USP2LMNAHPGDRAB9APOLB
SCHEMBL13438260 0.82 USP2 (0.93) USP2LMNAHPGDPOLBMAPT
SCHEMBL17205973 0.81 USP2 (0.84) USP2LMNAHPGDPOLBMAPT
SCHEMBL1661081 0.80 TRPV1 (0.76) LMNAHPGDALDH1A1ALOX15TDP1
SCHEMBL8269659 0.80 USP2 (0.76) USP2HPGDRAB9APOLBMAPT
SCHEMBL28179817 0.78 USP2 (0.84) USP2LMNAHPGDPOLBMAPT
SCHEMBL9558084 0.78 RAB9A (1.00) LMNAHPGDRAB9APOLBALDH1A1
SCHEMBL6076909 0.78 USP2 (0.73) USP2LMNAHPGDPOLBMAPT
SCHEMBL28999860 0.78 SMN1; SMN2 (0.71) USP2HPGDRAB9APOLBMAPT
SCHEMBL5248141 0.77 HPGD (0.74) USP2LMNAHPGDRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO claimed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO disclosed