SCHEMBL7779326

SCHEMBL7779326

O=C(CC1NCCS1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
REN P00797 2/20 0.40
ALOX5 P09917 2/20 0.39
CTSD P07339 1/20 0.39
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL7771883 0.80 TSHR (0.51) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL228875 0.72 POLB (0.44) FAAH
SCHEMBL1128948 0.68 NPC1 (0.64) MEN1KMT2ALMNAALDH1A1REN
SCHEMBL673623 0.67 LMNA (0.61) MEN1KMT2ALMNAALDH1A1REN
SCHEMBL9547536 0.67 LMNA (0.73) MEN1KMT2ALMNAALDH1A1REN
SCHEMBL9644840 0.67 KMT2A (0.49) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL17732626 0.66 REN (0.71) LMNAALDH1A1RENCTSDNPSR1
SCHEMBL5146531 0.66 LMNA (0.55) MEN1KMT2ALMNAALDH1A1REN
SCHEMBL29993293 0.66 LMNA (0.55) MEN1KMT2ALMNAALDH1A1REN
SCHEMBL5146521 0.66 LMNA (0.55) MEN1KMT2ALMNAALDH1A1REN

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
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