SCHEMBL11563623

SCHEMBL11563623

N#CC(=Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PPME1 Q9Y570 2/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL11557463 0.79 LMNA (0.52) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5635633 0.78 MAPT (0.52) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL5635627 0.78 MAPT (0.52) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL29289226 0.74 PKM (0.74) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL29289222 0.74 PKM (0.74) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL11567419 0.72 LMNA (0.46) LMNASMN1; SMN2MEN1GAAKMT2A
SCHEMBL11565045 0.72 ALDH1A1 (0.44) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL10716495 0.72 GAA (0.46) PKMLMNAHPGDKDM4EMAPT
SCHEMBL29289223 0.72 PKM (0.65) PKML3MBTL1LMNAHPGDALDH1A1
SCHEMBL29289227 0.72 PKM (0.65) PKML3MBTL1LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4162321-A Sulphur-containing amino-dihydropyridines, and their use as medicants BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 — — US disclosed
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