SCHEMBL28775099

SCHEMBL28775099

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.43
▸ PPARA Q07869 8/20 0.43
▸ PPARD Q03181 7/20 0.43
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ NTRK2 Q16620 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL28775101 0.90 PPARG (0.43) PPARGPPARAPPARDMEN1NPC1
SCHEMBL27733702 0.88 PPARG (0.46) PPARGPPARAPPARDMEN1NPC1
SCHEMBL27713459 0.88 PPARG (0.36) PPARGPPARAPPARDMEN1RAB9A
SCHEMBL27713509 0.85 AKR1B1 (0.36) PPARGPPARAPPARDNPC1POLB
SCHEMBL27733811 0.84 DYRK1A (0.49) NPC1RAB9A
SCHEMBL27713592 0.83 ALDH1A1 (0.36) PPARGPPARAPPARDNPSR1RORC
SCHEMBL27833814 0.81 PPARG (0.37) PPARGPPARAPPARDMEN1POLB
SCHEMBL28806427 0.81 MEN1 (0.38) PPARGPPARAPPARDMEN1POLB
SCHEMBL27813772 0.81 PPARG (0.36) PPARGPPARAPPARDMEN1POLB
SCHEMBL27713774 0.79 ALDH1A1 (0.34) PPARGPPARAPPARDAKR1C3AKR1C2

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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