SCHEMBL8303347

SCHEMBL8303347

Cc1nc(-c2nc(-c3ccc(Cl)cc3)c(CCC(N)=O)o2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
IKBKB O14920 1/20 0.34
TARBP2 Q15633 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 2/20 0.31
PPARA Q07869 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL8305905 0.90 RXRA (0.45) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8303845 0.86 RXRA (0.41) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8307946 0.85 ALDH1A1 (0.35) RXRARXRBRXRGTARBP2KDM4E
SCHEMBL8309374 0.84 MAPT (0.35) RXRARXRBRXRGKDM4EMEN1
SCHEMBL4442406 0.84 SIRT2 (0.38) RXRARXRBRXRGTARBP2KDM4E
SCHEMBL4563793 0.83 SIRT2 (0.35) TARBP2MAPTALDH1A1LMNAPPARA
SCHEMBL8304088 0.82 HSD17B10 (0.40) TARBP2KDM4EMEN1MAPTKMT2A
SCHEMBL4442084 0.82 SIRT2 (0.34) TARBP2ALDH1A1PPARA
SCHEMBL7514117 0.82 SIRT2 (0.34) TARBP2ALDH1A1PPARA
SCHEMBL8303146 0.81 CRHR1 (0.31)

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-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed