SCHEMBL2010059

SCHEMBL2010059

CCOC(=O)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RXFP1 Q9HBX9 2/20 0.61
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GCGR P47871 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL16595789 0.86 NPC1 (0.58) NPC1RXFP1MAPTKMT2AMEN1
SCHEMBL12002570 0.86 TP53 (0.60) NPC1RXFP1MAPTKMT2AMEN1
SCHEMBL12783515 0.86 NPC1 (0.50) NPC1RXFP1MAPTRAB9ASMN1; SMN2
SCHEMBL1222552 0.85 NPC1 (0.62) NPC1MAPTKMT2AMEN1RAB9A
SCHEMBL811649 0.85 CA12 (0.56) NPC1MAPTKMT2AMEN1RAB9A
SCHEMBL29800427 0.85 CA12 (0.56) NPC1MAPTKMT2AMEN1RAB9A
SCHEMBL2009526 0.84 HPGDS (0.64) NPC1MAPTKMT2AMEN1RAB9A
SCHEMBL1966802 0.84 NPC1 (0.67) NPC1RXFP1MAPTKMT2AMEN1
SCHEMBL4636262 0.84 FOS (0.54) NPC1MAPTKMT2AMEN1CASP3
SCHEMBL31426903 0.84 PDGFRB (0.55) NPC1RXFP1MAPTKMT2AMEN1

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
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073277-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed