SCHEMBL7847653

SCHEMBL7847653

O=c1cc(Cl)n(CCCCl)c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4A O75164 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 4/20 0.41
GSK3B P49841 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3A P49840 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL25827018 0.86 HPGD (0.57) HPGDKDM4EALDH1A1KDM4ATSHR
SCHEMBL7831973 0.84 KMT2A (0.55) HPGDKDM4EALDH1A1TSHRHTT
SCHEMBL7830685 0.81 KMT2A (0.58) HPGDKDM4EALDH1A1TSHRHTT
SCHEMBL10159514 0.78 MAPT (0.49) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL11196780 0.78 KDM4E (0.49) HPGDKDM4EALDH1A1KDM4ATSHR
SCHEMBL31213513 0.78 HPGD (0.52) HPGDCYP3A4MAPTGSK3BKMT2A
SCHEMBL31213524 0.77 HPGD (0.51) HPGDKDM4EALDH1A1KDM4ATSHR
SCHEMBL25827062 0.75 CYP3A4 (0.69) HPGDKDM4EALDH1A1KDM4ATSHR
SCHEMBL7835021 0.74 MAPT (0.41) HPGDKDM4EALDH1A1KDM4ATSHR
SCHEMBL320830 0.74 RGS4 (0.53) HPGDKDM4EALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed