SCHEMBL9637649

SCHEMBL9637649

Cc1ncoc1CSCCN

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PRMT6 Q96LA8 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Bromide SCHEMBL11231869 0.98 L3MBTL1 (0.41) L3MBTL1PRMT6CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL9637644 0.78 TYR (0.31)
SCHEMBL11315005 0.76 SMN1; SMN2 (0.33)
SCHEMBL3291349 0.74
Hydrochloric Acid SCHEMBL11478924 0.74 L3MBTL1 (0.53) L3MBTL1PRMT6CYP1A2CYP3A4CYP2D6
SCHEMBL11089815 0.74 SMN1; SMN2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Benzene SCHEMBL7660246 0.73 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL25323764 0.72
SCHEMBL11326422 0.71 ACHE (0.39) L3MBTL1
SCHEMBL11643707 0.71 ALDH1A1 (0.35)

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171860-A Diamino isothiazole-1-oxides and 1,1 dioxides as gastric secretion inhibitors MERCK & CO., INC. (US) 1992-12-15 US disclosed
EP-0040696-B1 AMINOTHIADIAZOLES AS GASTRIC SECRETION INHIBITORS MERCK & CO. INC. (US) 1986-08-27 EP disclosed
EP-0067436-B1 DIAMINO ISOTHIAZOLE -1-OXIDES AND -1,1-DIOXIDES AS GASTRIC SECRETION INHIBITORS MERCK & CO. INC. (US) 1986-07-23 EP disclosed
US-4440775-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-03 US disclosed
EP-0067436-A2 Diamino isothiazole -1-oxides and -1,1-dioxides as gastric secretion inhibitors MERCK & CO. INC. (US) 1982-12-22 EP disclosed
US-4347250-A ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 US disclosed
US-4333946-A ANTIINFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-06-08 US disclosed
US-4317829-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-03-02 US disclosed
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP disclosed
US-4166856-A Thiazole and isothiazole derivative as blockers of histamine H2 -receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-09-04 US disclosed
US-4153704-A HETEROCYCLIC-ALKYL-AMINO SUBSTITUTED, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-08 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4124717-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-11-07 US disclosed
US-4098898-A N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-07-04 US disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed