SCHEMBL5739422

SCHEMBL5739422

CC(C)(C)c1ccc(-c2scc(CC=NNC(=O)c3ccc(C(=O)O)cc3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 6/20 0.43
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SRD5A2 P31213 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
GRIN2C Q14957 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5738665 0.90 CA1 (0.43) ESRRGKMT2AMEN1GAAMAPT
SCHEMBL5738808 0.88 ESRRG (0.41) ESRRGNR1H4EPHX2KMT2AALOX5
SCHEMBL5739305 0.88 NR1H4 (0.46) ESRRGNR1H4EPHX2KMT2AMEN1
SCHEMBL5739289 0.88 ESRRG (0.35) ESRRGGAAALOX5PTGS2SPHK2
SCHEMBL5738282 0.83 ESRRG (0.40) ESRRGNR1H4EPHX2KMT2AMEN1
SCHEMBL5737439 0.83 ESRRG (0.40) ESRRGKMT2AMEN1GAAMAPT
SCHEMBL5738615 0.83 ESRRG (0.40) ESRRGNR1H4EPHX2KMT2AMEN1
SCHEMBL5738456 0.82 SPHK2 (0.34) ESRRGHPGDCA1CA2ALOX5
SCHEMBL1483294 0.82 ESRRG (0.51) ESRRGKMT2AMEN1MITFGAA
SCHEMBL1483292 0.82 ESRRG (0.51) ESRRGKMT2AMEN1MITFGAA

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-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed