SCHEMBL11003643

SCHEMBL11003643

CC(N)CSCc1nc[nH]c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
SLC47A1 Q96FL8 1/20 0.32
HRH4 Q9H3N8 4/20 0.32
HRH3 Q9Y5N1 4/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
GABRR1 P24046 1/20 0.30
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30

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 SCHEMBL11004918 0.98 L3MBTL1 (0.39) L3MBTL1MAOASMN1; SMN2MAOBSLC47A1
SCHEMBL9867214 0.82 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
SCHEMBL9867182 0.82 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
Bromide SCHEMBL10874304 0.81 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
SCHEMBL10740894 0.75 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
SCHEMBL11005817 0.72 L3MBTL1 (0.34) L3MBTL1MAOAMAOBHRH4HRH3
SCHEMBL11418864 0.72 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
Bromide SCHEMBL11006095 0.71 L3MBTL1 (0.33) L3MBTL1HRH4HRH3ALDH1A1MEN1
SCHEMBL8356944 0.68 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3
SCHEMBL11151413 0.67 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2SLC47A1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 US disclosed
US-4388319-A ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
US-4271169-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-02 US disclosed
US-4215125-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4152443-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-01 US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 US disclosed