SCHEMBL27607474

SCHEMBL27607474

Cc1ccc(S(=O)(=O)OCCc2csc(-c3cncc(C)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 4/20 0.45
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL27607461 0.82 CYP19A1 (0.44) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL6800670 0.80 KMT2A (0.56) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL15456206 0.74 LMNA (0.41) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL4885384 0.72 PPARA (0.45) KDM4EALDH1A1
SCHEMBL16603174 0.71 SRC (0.42) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL6796094 0.70 SLC6A3 (0.46) LMNAMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL6800933 0.69 SIRT1 (0.44) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4893501 0.68 PPARA (0.44) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL8198987 0.68 HSD11B1 (0.42) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL22412258 0.68 KMT2A (0.41) LMNAALDH1A1SMN1; SMN2GAAKMT2A

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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN disclosed