SCHEMBL27713509

SCHEMBL27713509

C=CC(c1ccc2sc(C)nc2c1)S(=O)(=O)n1c(C(CC)C(=O)O)cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 7/20 0.36
▸ AKR1A1 P14550 2/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ POLB P06746 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 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
SCHEMBL27713459 0.94 PPARG (0.36) AKR1B1AKR1A1PPARGPPARAPPARD
SCHEMBL27713303 0.90 POLB (0.36) AKR1B1AKR1A1PPARGPPARAPPARD
SCHEMBL27733859 0.88 PPARA (0.47) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL28775099 0.85 PPARG (0.43) PPARGPPARAPPARDPOLBNPC1
SCHEMBL27733656 0.83 PPARG (0.36) PPARGPPARAPPARDDYRK1ANPC1
SCHEMBL27713592 0.83 ALDH1A1 (0.36) PPARGPPARAPPARDSMN1; SMN2AKR1C3
SCHEMBL27733811 0.83 DYRK1A (0.49) DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL27733680 0.82 PPARG (0.47) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL27833814 0.81 PPARG (0.37) PPARGPPARAPPARDPOLBSMN1; SMN2
SCHEMBL28806427 0.81 MEN1 (0.38) PPARGPPARAPPARDPOLBSMN1; SMN2

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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