SCHEMBL9839866

SCHEMBL9839866

C[CH]SCc1cccc(CN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ CYP2C19 P33261 1/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.46
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL7664667 0.82 PRMT6 (0.64) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL11339852 0.82 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL11192726 0.82 PRMT6 (0.78) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL7813992 0.79 SMN1; SMN2 (0.54) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL155081 0.77 PRMT6 (0.66) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL9839873 0.77 CYP2D6 (0.57) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL12622771 0.75 PRMT6 (0.68) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL10668086 0.75 PRMT6 (0.62) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL13818557 0.74 PRMT6 (0.62) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL12854 0.74 HRH3 (0.67) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E

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 11 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-4738969-A Substituted aminopyridones and aminoquinolones having histamine H2 -receptor blocking activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-04-19 — — US disclosed
US-4694008-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-09-15 — — US disclosed
US-4608380-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-08-26 — — US disclosed
EP-0180298-A2 Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-07 — — EP disclosed
EP-0172968-A1 Aminothiadiazine derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-05 — — EP disclosed
US-4571398-A Cytosine derivatives having histamine H2 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-02-18 — — US disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 — — EP disclosed
EP-0140466-A2 Pyrimidinone derivatives, process for their preparation, and their pharmaceutical use SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-05-08 — — EP disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 — — EP disclosed
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