SCHEMBL7219002

SCHEMBL7219002

CCCCc1cc(C#N)cnc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35

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
SCHEMBL7213446 0.86 HRH4 (0.37) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL19171823 0.82 HTT (0.41) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL7309110 0.79 TSHR (0.41) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL21503703 0.76 TSHR (0.42) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL7219758 0.75 EGLN2 (0.40) ALDH1A1L3MBTL1KDM4EHTTPTGER4
SCHEMBL21786716 0.72 KDM4E (0.38) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL7220029 0.72 TSHR (0.44) ALDH1A1L3MBTL1HPGDHTTTSHR
SCHEMBL7213742 0.72 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL30399972 0.72 GABRP (0.41) ALDH1A1L3MBTL1KDM4EHPGDHTT
SCHEMBL7927098 0.72 TSHR (0.39) ALDH1A1HPGDHTTTSHRHSD17B10

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