SCHEMBL10736569

SCHEMBL10736569

N#CC[S+]([O-])c1cccc(-c2nc3cnncc3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ RAB9A P51151 9/20 0.35
▸ NPC1 O15118 8/20 0.35
▸ SMN1; SMN2 Q16637 7/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TP53 P04637 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34

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
SCHEMBL10742455 0.89 GAA (0.36) MEN1KMT2AGAAPOLBUSP2
SCHEMBL9634393 0.86 KDM4E (0.40) MEN1KMT2AGAAPOLBUSP2
SCHEMBL10737729 0.85 NPC1 (0.36) MEN1KMT2AGAAPOLBRAB9A
SCHEMBL10742006 0.84 CYP1A2 (0.40) MEN1KMT2AGAAPOLBUSP2
SCHEMBL10738217 0.82 CYP2C9 (0.39) MEN1KMT2AGAAPOLBUSP2
SCHEMBL10739958 0.81 RAB9A (0.37) MEN1KMT2AGAAPOLBUSP2
SCHEMBL10742034 0.80 MEN1 (0.40) MEN1KMT2AGAAPOLBUSP2
SCHEMBL10740157 0.76 ALDH1A1 (0.37) GAARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10742377 0.76 HDAC6 (0.43) MEN1KMT2AGAAPOLBUSP2
SCHEMBL9636140 0.76 KDM4E (0.40) MEN1KMT2AGAAPOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654344-A ALSO AFFECT BLOOD PRESSURE AND MYOCARDIAL CONTRACTIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 — — US disclosed
EP-0093951-B1 2-ARYL-TETRAAZAINDENES MERCK PATENT GmbH (DE) 1986-10-29 — — EP disclosed
US-4575505-A Pharmaceutical compositions containing 2-aryltetraazaindenes for treating ulcers or cardiac insufficiency or blood pressure abnormalities MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-03-11 — — US disclosed
US-4477454-A INDOTROPIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-16 — — US disclosed
EP-0093951-A2 2-Aryl-tetraazaindenes MERCK PATENT GmbH (DE) 1983-11-16 — — EP disclosed
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