SCHEMBL11595503

SCHEMBL11595503

CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ HTT P42858 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GSTO1 P78417 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL9436722 0.92 POLB (0.58) POLBL3MBTL1TDP1CA12CA9
SCHEMBL11555586 0.89 GAA (0.50) POLBL3MBTL1TDP1CA12CA9
SCHEMBL11595388 0.88 GSTO1 (0.50) POLBL3MBTL1TDP1CA12CA9
SCHEMBL11527984 0.86 GAA (0.47) POLBL3MBTL1TDP1CA12CA9
SCHEMBL9436712 0.86 GSTO1 (0.66) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL9436643 0.84 CA12 (0.52) TDP1CA12CA9SMN1; SMN2KMT2A
SCHEMBL11710034 0.83 MAPT (0.56) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL13543489 0.83 MAPT (0.73) POLBL3MBTL1TDP1SMN1; SMN2KMT2A
SCHEMBL11598345 0.82 GAA (0.44) POLBL3MBTL1TDP1CA12CA9
SCHEMBL5506453 0.82 FABP4 (0.49) TDP1CA12CA9SMN1; SMN2KMT2A

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-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 — — US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 — — US disclosed
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