SCHEMBL9840045

SCHEMBL9840045

SCc1ccc(CN2CCCC2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 4/20 0.43
ACHE P22303 2/20 0.42
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37

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
SCHEMBL9840022 0.98 KDM4E (0.51) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL9840038 0.80 KDM4E (0.49) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL28811140 0.80 KDM4E (0.53) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL13990823 0.78 KDM4E (0.51) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL7329753 0.78 KDM4E (0.55) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL24160846 0.78 KDM4E (0.51) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL9840017 0.78 KDM4E (0.51) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL9209934 0.78 KDM4E (0.51) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL8264500 0.76 ALDH1A1 (0.67) KDM4EGAAHRH3ACHEALDH1A1
SCHEMBL14232337 0.76 KDM4E (0.53) KDM4EGAAHRH3ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180298-B1 PYRIMIDINE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-25 EP disclosed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 EP disclosed
US-4694008-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-09-15 US disclosed
EP-0180298-A2 Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-07 EP disclosed
US-4567176-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-01-28 US disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 EP disclosed
EP-0132914-A2 Imidazolinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-13 EP disclosed
WO-1984004304-A1 AMINOIMIDAZOLONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1984-11-08 WO disclosed