SCHEMBL5738282

SCHEMBL5738282

COC(=O)c1ccc(C(=O)NN=CCc2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 6/20 0.40
GCGR P47871 1/20 0.39
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 2/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL5739305 0.92 NR1H4 (0.46) ESRRGGCGRSPHK2SPHK1EPHX2
SCHEMBL5737439 0.90 ESRRG (0.40) ESRRGGCGRSPHK2SPHK1ALDH1A1
SCHEMBL5738615 0.90 ESRRG (0.40) ESRRGGCGRSPHK2SPHK1EPHX2
SCHEMBL5738665 0.89 CA1 (0.43) ESRRGGCGRSPHK2SPHK1ALDH1A1
SCHEMBL5738808 0.83 ESRRG (0.41) ESRRGGCGRSPHK2SPHK1EPHX2
SCHEMBL5739422 0.83 ESRRG (0.43) ESRRGGCGRSPHK2SPHK1EPHX2
SCHEMBL5738274 0.82 PHGDH (0.40) SPHK2SPHK1ALDH1A1MAPTHTT
SCHEMBL5738456 0.82 SPHK2 (0.34) ESRRGGCGRSPHK2SPHK1ALDH1A1
SCHEMBL1484328 0.81 ESRRG (0.44) ESRRGGCGREPHX2NR1H4ALDH1A1
SCHEMBL13720945 0.81 ESRRG (0.44) ESRRGGCGREPHX2NR1H4ALDH1A1

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