SCHEMBL28775101

SCHEMBL28775101

C=CC(c1ccc2ncsc2c1)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.43
▸ PPARA Q07869 6/20 0.43
▸ PPARD Q03181 5/20 0.43
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ AKR1C3 P42330 4/20 0.32
▸ AKR1C2 P52895 4/20 0.32
▸ OGA O60502 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL28775099 0.90 PPARG (0.43) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL28775091 0.88 PPARG (0.46) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27733656 0.87 PPARG (0.36) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27713321 0.86 SCN4A (0.42) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27713303 0.84 POLB (0.36) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27733706 0.84 DYRK1A (0.52) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL28775092 0.79 AKR1C3 (0.39) PPARGPPARAPPARDAKR1C3AKR1C2
SCHEMBL27733824 0.77 TRPV1 (0.37) PPARGPPARAAKR1C3AKR1C2OGA
SCHEMBL27733702 0.77 PPARG (0.46) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27713459 0.77 PPARG (0.36) PPARGPPARAPPARDRAB9AMEN1

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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