SCHEMBL27733656

SCHEMBL27733656

C=CC(c1ccc2nc(C)sc2c1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL27713303 0.94 POLB (0.36) PPARGPPARDPPARADYRK1ASMN1; SMN2
SCHEMBL27713321 0.91 SCN4A (0.42) PPARGPPARDKMT2APPARADYRK1A
SCHEMBL27713459 0.90 PPARG (0.36) PPARGPPARDMAPTTP53MEN1
SCHEMBL27733706 0.88 DYRK1A (0.52) MEN1CYP2C9KMT2ADYRK1AACP1
SCHEMBL28775101 0.87 PPARG (0.43) PPARGPPARDMEN1KMT2APPARA
SCHEMBL27713509 0.83 AKR1B1 (0.36) PPARGPPARDMAPTTP53PPARA
SCHEMBL27733811 0.79 DYRK1A (0.49) DYRK1AACP1SMN1; SMN2RAB9ACSNK1D
SCHEMBL27733828 0.79 PPARG (0.47) PPARGPPARDKMT2APPARASMN1; SMN2
SCHEMBL28775092 0.79 AKR1C3 (0.39) PPARGPPARDPPARAAKR1C3AKR1C2
SCHEMBL27733680 0.77 PPARG (0.47) PPARGPPARDMAPTTP53MEN1

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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