SCHEMBL9253341

SCHEMBL9253341

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
FKBP1A P62942 2/20 0.39
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PHGDH O43175 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7163453 0.90 KMT2A (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9253331 0.79 SMN1; SMN2 (0.41) MEN1KMT2APKMSMN1; SMN2FKBP1A
SCHEMBL9264405 0.79 SMN1; SMN2 (0.41) MEN1KMT2APKMSMN1; SMN2FKBP1A
SCHEMBL9261579 0.78 MEN1 (0.45) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9260421 0.78 CHRM1 (0.43) MEN1KMT2A
SCHEMBL9260959 0.77 KMT2A (0.42) MEN1KMT2APKMSMN1; SMN2DPP4
SCHEMBL9262369 0.76 KMT2A (0.41) MEN1KMT2A
SCHEMBL9260110 0.74 STS (0.42) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL9256844 0.74 HTT (0.46) MEN1KMT2AALDH1A1
SCHEMBL7163448 0.70 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2FKBP1AALDH1A1

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-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed