SCHEMBL28775103

SCHEMBL28775103

C=CC(c1ccccc1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PHGDH O43175 7/20 0.40
▸ PPARG P37231 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ ACLY P53396 2/20 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
SCHEMBL27733784 0.95 PSEN1 (0.42) MEN1KMT2APHGDHPSEN1PSEN2
SCHEMBL27713457 0.94 PSEN1 (0.46) MEN1KMT2APHGDHPSEN1PSEN2
SCHEMBL27733756 0.91 PTGS1 (0.41) MEN1KMT2APHGDHPPARGPPARA
SCHEMBL27713686 0.91 PPARG (0.41) MEN1KMT2APHGDHPPARGPPARA
SCHEMBL27713338 0.91 PSEN1 (0.40) MEN1KMT2APHGDHPSEN1PSEN2
SCHEMBL28770821 0.90 PTGS2 (0.39) PHGDHPSEN1PSEN2APH1BNCSTN
SCHEMBL27713495 0.89 AKR1C3 (0.41) PHGDHPPARGPPARAPPARDPSEN1
SCHEMBL28775092 0.88 AKR1C3 (0.39) PHGDHPPARGPPARAPPARDPSEN1
SCHEMBL27733659 0.88 PSEN1 (0.38) PHGDHPPARGPPARAPPARDPSEN1
SCHEMBL27733816 0.88 PPARG (0.39) MEN1KMT2APHGDHPPARGPPARA

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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