SCHEMBL27733779

SCHEMBL27733779

C=CC(c1ccc2[nH]ccc2c1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.43
▸ F7 P08709 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ C5 P01031 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PHGDH O43175 3/20 0.36
▸ CYP19A1 P11511 3/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35

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
SCHEMBL27733841 0.89 F7 (0.36) PTGS2F7LTA4HF3AHR
SCHEMBL27733784 0.87 PSEN1 (0.42) PTGS2MEN1ABCC4C5MAPT
SCHEMBL27713457 0.86 PSEN1 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL27713686 0.85 PPARG (0.41) MEN1KMT2APHGDHPSEN1PSEN2
SCHEMBL28775103 0.84 MEN1 (0.41) MEN1KMT2APHGDHPSEN1PSEN2
SCHEMBL27713338 0.83 PSEN1 (0.40) PTGS2MEN1ABCC4C5MAPT
SCHEMBL28770821 0.82 PTGS2 (0.39) PTGS2PHGDHPSEN1PSEN2APH1B
SCHEMBL27713495 0.81 AKR1C3 (0.41) PHGDHPSEN1PSEN2APH1BNCSTN
SCHEMBL28775092 0.81 AKR1C3 (0.39) PTGS2PHGDHPSEN1PSEN2APH1B
SCHEMBL27733659 0.81 PSEN1 (0.38) PTGS2PHGDHPSEN1PSEN2APH1B

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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