SCHEMBL7282013

SCHEMBL7282013

CCCC[S+]([O-])c1ccc(NC(=O)CCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MITF O75030 2/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 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
SCHEMBL7282159 0.79 PRMT1 (0.57) PRMT1NPC1RAB9AMITFXBP1
SCHEMBL11387426 0.77 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL10837614 0.76 SMN1; SMN2 (0.46) NPC1ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL7435728 0.76 ALDH1A1 (0.46) NPC1ALDH1A1MAPTKMT2ALMNA
SCHEMBL7750891 0.76 ALOX12 (0.47) GAANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9478167 0.75 ALDH1A1 (0.46) RAB9AALDH1A1SMN1; SMN2HTTCA1
SCHEMBL10933393 0.74 HSD17B3 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7290905 0.74 POLB (0.71) GAANPC1RAB9AMITFXBP1
SCHEMBL9081388 0.74 NPC1 (0.76) PRMT1NPC1RAB9AMITFXBP1
SCHEMBL1031451 0.73 HDAC3 (0.60) PRMT1NPC1RAB9AMITFXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 — — US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 — — US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 — — US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 — — EP disclosed
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