SCHEMBL7413259

SCHEMBL7413259

NC(=S)c1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 1/20 0.56
PPARG P37231 4/20 0.52
NR1H4 Q96RI1 3/20 0.51
PPARA Q07869 1/20 0.49
DHODH Q02127 1/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 1/20 0.49
GRIK1 P39086 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
HCAR3 P49019 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
CREBBP Q92793 1/20 0.46
SERPINE1 P05121 1/20 0.46

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
SCHEMBL8416288 0.91 MEN1 (0.57) MEN1KMT2ANPC1PPARGNR1H4
SCHEMBL8414751 0.91 MEN1 (0.57) MEN1KMT2ANPC1PPARGNR1H4
SCHEMBL7416030 0.89 KMT2A (0.50) MEN1KMT2ANPC1PPARGNR1H4
SCHEMBL7407208 0.83 NPC1 (0.55) MEN1KMT2ANPC1PPARGNR1H4
SCHEMBL7414642 0.83 NPC1 (0.55) MEN1KMT2ANPC1PPARGNR1H4
SCHEMBL12700346 0.80 HSD17B10 (0.61) MEN1KMT2APPARGDHODHPKM
SCHEMBL7409499 0.80 MEN1 (0.61) MEN1KMT2ANPC1DHODHRAB9A
SCHEMBL7409183 0.79 MEN1 (0.84) MEN1KMT2ANPC1PKMMAPT
SCHEMBL7410644 0.79 MEN1 (0.84) MEN1KMT2ANPC1PKMMAPT
SCHEMBL7413373 0.78 CREBBP (0.44) MEN1KMT2ANPC1PPARGNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO claimed
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO disclosed
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed