SCHEMBL5748671

SCHEMBL5748671

COC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.49
AGTR1 P30556 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 3/20 0.37
GCGR P47871 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL12755590 0.92 RAB9A (0.43) ESRRGAGTR1NPC1RAB9AALDH1A1
SCHEMBL5747629 0.92 RAB9A (0.43) ESRRGAGTR1NPC1RAB9AALDH1A1
SCHEMBL1483505 0.91 MTOR (0.42) ESRRGMEN1KMT2ANPC1RAB9A
SCHEMBL1483507 0.91 MTOR (0.42) ESRRGMEN1KMT2ANPC1RAB9A
SCHEMBL1483389 0.90 ESRRG (0.43) ESRRGAGTR1CA2MEN1KMT2A
SCHEMBL1483387 0.90 ESRRG (0.43) ESRRGAGTR1CA2MEN1KMT2A
SCHEMBL12568404 0.90 ESRRG (0.51) ESRRGAGTR1CA1CA2MEN1
SCHEMBL16471197 0.90 ESRRG (0.51) ESRRGAGTR1MEN1KMT2ANPC1
SCHEMBL1482944 0.90 ESRRG (0.51) ESRRGAGTR1CA1CA2MEN1
SCHEMBL1482943 0.90 ESRRG (0.51) ESRRGAGTR1CA1CA2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
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