SCHEMBL7213446

SCHEMBL7213446

CCCc1cc(C#N)cnc1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
HTT P42858 2/20 0.37
PTGER4 P35408 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGDS O60760 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
MAPT P10636 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL7219002 0.86 ALDH1A1 (0.38) HTTPTGER4HPGDSMAPK1KDM4E
SCHEMBL21786716 0.82 KDM4E (0.38) HTTPTGER4MEN1KMT2AHPGDS
SCHEMBL19171969 0.81 HTT (0.43) HRH4HTTPTGER4MEN1KMT2A
SCHEMBL7219758 0.78 EGLN2 (0.40) HTTPTGER4MEN1KMT2AHPGDS
SCHEMBL21107375 0.77 KDM4E (0.44) HRH4HTTPTGER4HPGDSKDM4E
SCHEMBL13838604 0.73 PDE10A (0.35) KDM4EALDH1A1PDE10A
SCHEMBL25284464 0.72 HPGDS (0.36) HTTHPGDSMAPK1KDM4EALDH1A1
SCHEMBL29392663 0.72 HPGDS (0.36) HTTHPGDSMAPK1KDM4EALDH1A1
SCHEMBL19171823 0.71 HTT (0.41) HTTPTGER4MEN1KMT2AKDM4E
SCHEMBL7309110 0.71 TSHR (0.41) HTTPTGER4KDM4EALDH1A1L3MBTL1

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
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed