SCHEMBL4780233

SCHEMBL4780233

O=C1NC(=O)C(Cc2ccc3c(c2)c2ccccc2n3Cc2ccc(C(=O)Nc3nccs3)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR1 O14842 1/20 0.42
PPARA Q07869 1/20 0.42
SCD O00767 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRM1 P35372 1/20 0.40

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
SCHEMBL4778666 0.82 FFAR1 (0.48) HDAC6HDAC1HDAC10ALDH1A1HPGD
SCHEMBL5322829 0.81 FFAR1 (0.45) HDAC6HDAC1HDAC10ALDH1A1NPSR1
SCHEMBL4778234 0.74 KDM4E (0.53) MEN1KMT2AALDH1A1MAPK1HPGD
SCHEMBL100284 0.74 FFAR1 (0.50) ALDH1A1HPGDNPSR1FFAR1PPARA
SCHEMBL5324367 0.72 PPARG (0.50) ALDH1A1NPSR1LMNAFFAR1PPARA
SCHEMBL9052053 0.68 FFAR1 (0.50) HDAC6HDAC1MEN1KMT2AALDH1A1
SCHEMBL4781441 0.67 PTPN1 (0.52) ALDH1A1NPSR1FFAR1PPARA
SCHEMBL13846783 0.67 HDAC1 (0.48) HDAC6HDAC1HDAC10RAB9AALDH1A1
SCHEMBL4775009 0.66 FFAR1 (0.45) HDAC6HDAC1HDAC10ALDH1A1NPSR1
SCHEMBL11377635 0.66 RAB9A (0.53) HDAC6HDAC1HDAC10NPC1RAB9A

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
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed