SCHEMBL11246187

SCHEMBL11246187

N=C(N)Nc1nc(-c2ccc(NC(=O)NS)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ KMT2A Q03164 9/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ROCK1 Q13464 2/20 0.53
▸ GAA P10253 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ BLM P54132 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ AMY1A P0DUB6 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALOX12 P18054 1/20 0.47

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
SCHEMBL10808170 0.79 MAPT (0.53) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3604799 0.78 ALOX5 (0.61) MAPTADORA3KMT2AMEN1SMN1; SMN2
SCHEMBL3594785 0.78 MAPT (0.65) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
Bromide SCHEMBL10750014 0.78 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL30660071 0.77 MAPT (0.48) MAPTADORA3KMT2AMEN1SMN1; SMN2
SCHEMBL3602636 0.77 ABL1 (0.65) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3610442 0.77 ALOX5 (0.59) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3603727 0.77 GSTO1 (0.60) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3598628 0.77 MAPT (0.58) MAPTADORA3KMT2AMEN1SMN1; SMN2
SCHEMBL3610890 0.77 MAPT (0.64) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 — — US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 — — EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 — — EP disclosed
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