SCHEMBL27733706

SCHEMBL27733706

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.52
▸ ACP1 P24666 1/20 0.42
▸ CSNK1D P48730 4/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ MTOR P42345 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ PIK3CG P48736 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FSCN1 Q16658 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
SCHEMBL27733811 0.91 DYRK1A (0.49) DYRK1AACP1CSNK1DAKT1MTOR
SCHEMBL27733759 0.89 DYRK1A (0.49) DYRK1AACP1AKT1PDPK1NPC1
SCHEMBL27733656 0.88 PPARG (0.36) DYRK1AACP1CSNK1DNPC1RAB9A
SCHEMBL27713321 0.88 SCN4A (0.42) DYRK1AACP1CSNK1DNPC1RAB9A
SCHEMBL28775101 0.84 PPARG (0.43) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27713303 0.82 POLB (0.36) DYRK1ANPC1RAB9APOLB
SCHEMBL27733879 0.79 DYRK1A (0.47) DYRK1AACP1AKT1PDPK1NPC1
SCHEMBL27713459 0.79 PPARG (0.36) DYRK1AACP1CSNK1DRAB9AMEN1
SCHEMBL27733828 0.76 PPARG (0.47) NPC1RAB9AKMT2APIK3CG
SCHEMBL28775092 0.76 AKR1C3 (0.39) —

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
Send feedback