SCHEMBL5747629

SCHEMBL5747629

COC(=O)c1cccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(C)(C)C)cc3)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ESRRG P62508 2/20 0.43
AGTR1 P30556 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
FURIN P09958 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
GCGR P47871 1/20 0.36
MTOR P42345 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 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 1.00 RAB9A (0.43) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL5748671 0.92 ESRRG (0.49) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12755591 0.91 RAB9A (0.44) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL1483459 0.91 RAB9A (0.44) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL1483464 0.91 RAB9A (0.44) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12755649 0.90 ESRRG (0.52) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12829967 0.89 KMT2A (0.46) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12755585 0.89 ESRRG (0.49) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12755655 0.88 MTOR (0.50) RAB9ANPC1ESRRGAGTR1SMN1; SMN2
SCHEMBL12755654 0.88 RAB9A (0.45) RAB9ANPC1ESRRGAGTR1SMN1; SMN2

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