SCHEMBL8561835

SCHEMBL8561835

COc1ccc(-c2nc(NC(=O)c3c[nH]c4ccccc34)sc2Cc2ccccc2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SRC P12931 1/20 0.46
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KLF5 Q13887 1/20 0.44
MAPT P10636 3/20 0.44
APAF1 O14727 1/20 0.44
HPGD P15428 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44

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
SCHEMBL9125220 0.83 PLCG2 (0.51) RXFP1NPSR1RAB9ALMNANPC1
SCHEMBL1304639 0.78 RAB9A (0.68) RXFP1NPSR1RAB9ALMNANPC1
SCHEMBL1303958 0.74 RAB9A (0.56) RXFP1NPSR1RAB9ALMNANPC1
SCHEMBL8559753 0.74 GAA (0.53) NPSR1RAB9ALMNANPC1MEN1
SCHEMBL1304125 0.73 KDM4E (0.56) RXFP1NPSR1RAB9ANPC1MEN1
SCHEMBL1302684 0.72 PLTP (0.66) RXFP1NPSR1RAB9ALMNANPC1
SCHEMBL1304632 0.72 CETP (0.66) MEN1KMT2APOLBUSP2MAPT
SCHEMBL1303816 0.72 ADORA1 (0.66) RXFP1RAB9ALMNANPC1MEN1
SCHEMBL1304427 0.72 ADORA1 (0.65) RXFP1RAB9ANPC1MEN1KMT2A
SCHEMBL1304151 0.72 PLTP (0.62) RAB9ANPC1MEN1KMT2AUSP2

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-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 EP disclosed