SCHEMBL9521058

SCHEMBL9521058

O=c1sc(CO)c(C(F)(F)F)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3B P49841 8/20 0.46
GSK3A P49840 4/20 0.46
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
RGS4 P49798 4/20 0.41
RGS8 P57771 4/20 0.41
PRKCA P17252 2/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX4 Q99571 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9868309 0.80 KDM4E (0.47) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9868143 0.79 L3MBTL1 (0.53) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9868147 0.79 KDM4E (0.49) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9521107 0.77 GSK3B (0.41) KDM4EL3MBTL1GSK3BGSK3ARGS4
SCHEMBL9520206 0.67 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL9519526 0.67 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL12806949 0.67 GSK3B (0.51) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL10493548 0.67 CYP19A1 (0.53) KDM4EMEN1KMT2ASMN1; SMN2P2RX4
SCHEMBL5530140 0.64 GSK3A (0.47) KDM4EPKML3MBTL1GSK3BGSK3A
SCHEMBL4616447 0.64 GSK3B (0.56) KDM4EPKML3MBTL1GSK3BGSK3A

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
EP-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
US-5008281-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1991-04-16 US disclosed
US-4925862-A PESTICIDES ROUSSEL UCLAF (FR) 1990-05-15 US disclosed