SCHEMBL9839873

SCHEMBL9839873

[CH2]CSCc1cccc(CN2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ PRMT6 Q96LA8 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2C19 P33261 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ MBTD1 Q05BQ5 1/20 0.43
▸ TP53BP1 Q12888 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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 0.83 PRMT6 (0.64) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL11192726 0.83 PRMT6 (0.78) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL11339852 0.83 PRMT6 (0.78) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL10668086 0.82 PRMT6 (0.62) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL10668832 0.79 PRMT6 (0.50) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL7813997 0.78 SMN1; SMN2 (0.55) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL9839085 0.78 CXCR4 (0.49) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL9839866 0.77 PRMT6 (0.55) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL10849750 0.75 PRMT6 (0.66) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2
SCHEMBL155081 0.75 PRMT6 (0.66) CYP2D6CYP2C9HIF1APRMT6SMN1; SMN2

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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