SCHEMBL27733811

SCHEMBL27733811

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.49
▸ ACP1 P24666 1/20 0.42
▸ CSNK1D P48730 8/20 0.41
▸ AKT1 P31749 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ PDPK1 O15530 1/20 0.37

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
SCHEMBL27733706 0.91 DYRK1A (0.52) DYRK1AACP1CSNK1DAKT1MTOR
SCHEMBL27733879 0.89 DYRK1A (0.47) DYRK1AACP1AKT1RAB9ANPC1
SCHEMBL27713459 0.89 PPARG (0.36) DYRK1AACP1CSNK1DRAB9A
SCHEMBL28775099 0.84 PPARG (0.43) RAB9ANPC1
SCHEMBL27713509 0.83 AKR1B1 (0.36) DYRK1ARAB9ANPC1SMN1; SMN2
SCHEMBL27713592 0.80 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL27733759 0.79 DYRK1A (0.49) DYRK1AACP1AKT1RAB9ANPC1
SCHEMBL27733656 0.79 PPARG (0.36) DYRK1AACP1CSNK1DRAB9ANPC1
SCHEMBL27833814 0.79 PPARG (0.37) SMN1; SMN2
SCHEMBL27713321 0.78 SCN4A (0.42) DYRK1AACP1CSNK1DRAB9ANPC1

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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