SCHEMBL9436722

SCHEMBL9436722

CCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ F10 P00742 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GPR55 Q9Y2T6 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
SCHEMBL11595503 0.92 POLB (0.56) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11597366 0.89 GSTO1 (0.50) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL3524965 0.89 CA12 (0.54) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11354624 0.85 CA1 (0.48) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11710034 0.85 MAPT (0.56) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL13543489 0.85 MAPT (0.73) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11595726 0.85 F10 (0.46) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL13543502 0.83 HTT (0.59) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL9436712 0.83 GSTO1 (0.66) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11596502 0.82 AKR1C3 (0.62) POLBL3MBTL1TDP1KMT2AHSD17B10

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
Send feedback