SCHEMBL9436712

SCHEMBL9436712

COCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 2/20 0.66
▸ MAPT P10636 1/20 0.62
▸ POLB P06746 6/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ACLY P53396 1/20 0.48

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
SCHEMBL13543489 0.92 MAPT (0.73) GSTO1MAPTPOLBL3MBTL1TDP1
SCHEMBL11595503 0.86 POLB (0.56) GSTO1MAPTPOLBL3MBTL1TDP1
SCHEMBL9436722 0.83 POLB (0.58) MAPTPOLBL3MBTL1TDP1HSD17B10
SCHEMBL11710034 0.82 MAPT (0.56) GSTO1MAPTPOLBL3MBTL1TDP1
SCHEMBL13543285 0.80 GSTO1 (0.62) GSTO1MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL9436763 0.78 MAPT (0.55) MAPTPOLBL3MBTL1TDP1HSD17B10
SCHEMBL11596502 0.77 AKR1C3 (0.62) POLBL3MBTL1TDP1HSD17B10ALDH1A1
SCHEMBL7658881 0.77 MAPT (1.00) MAPTPOLBL3MBTL1TDP1KDM4E
SCHEMBL11555586 0.75 GAA (0.50) GSTO1POLBL3MBTL1TDP1HSD17B10
SCHEMBL11026357 0.75 POLB (0.65) GSTO1MAPTPOLBL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 — — US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 — — US disclosed
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