SCHEMBL11137128

SCHEMBL11137128

CCCCc1cccc(Cl)c1NC(=S)NC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11136415 0.92 GAA (0.43) GAAMAPK1PTPN7DUSP3PTPN5
SCHEMBL11659898 0.87 HTT (0.37) GAATAAR1EGFRERBB2HTT
SCHEMBL11136950 0.87 GAA (0.44) GAAMAPK1PTPN7DUSP3PTPN5
SCHEMBL11141205 0.86 ALDH1A1 (0.44) GAAMAPK1ALDH1A1ATMNPSR1
SCHEMBL11272026 0.85 CACNA1C (0.44) EGFRNPSR1HTTLMNA
SCHEMBL11839275 0.84 HTT (0.36) TAAR1EGFRERBB2HTTMEN1
SCHEMBL11055529 0.83 HTT (0.40) GAAALDH1A1HTTMEN1LMNA
SCHEMBL11835524 0.82 LIPG (0.38) HTTMEN1KMT2A
SCHEMBL11844367 0.82 LIPG (0.38) HTTMEN1KMT2A
SCHEMBL11074940 0.81 GAA (0.50) GAAMAPK1PTPN7DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 — — US disclosed
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