SCHEMBL8414751

SCHEMBL8414751

NC(=S)c1ccc(C(=O)Nc2cc(C(=O)O)ccc2NC(=O)c2cc(C(=O)O)ccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.46
PPARG P37231 4/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
NR1H4 Q96RI1 4/20 0.44
PKM P14618 1/20 0.43
GRIK1 P39086 1/20 0.43
PPARA Q07869 1/20 0.42
HCAR3 P49019 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
SERPINE1 P05121 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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 0.95 MEN1 (0.57) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL7413259 0.91 MEN1 (0.56) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL7416030 0.80 KMT2A (0.50) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL7410644 0.80 MEN1 (0.84) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL7409183 0.80 MEN1 (0.84) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL7414642 0.79 NPC1 (0.55) MEN1KMT2ANPC1RAB9APPARG
SCHEMBL7407208 0.79 NPC1 (0.55) MEN1KMT2ANPC1RAB9APPARG
SCHEMBL7413404 0.78 KMT2A (0.64) MEN1KMT2ANPC1PPARGMAPT
SCHEMBL8417461 0.78 KMT2A (0.64) MEN1KMT2ANPC1PPARGMAPT
SCHEMBL7409499 0.74 MEN1 (0.61) MEN1KMT2ANPC1RAB9AHPGD

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
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed