SCHEMBL7513849

SCHEMBL7513849

CN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1CCCNc1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK8 P45983 2/20 0.39
KDM6B O15054 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
DHODH Q02127 1/20 0.38
PLK1 P53350 1/20 0.38
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP2C9 P11712 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL12066211 0.84 HCAR2 (0.48) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7519440 0.74 TSHR (0.46) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL7503514 0.74 TSHR (0.41) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL15023610 0.72 TRPM2 (0.50) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL15023609 0.72 TRPM2 (0.50) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL7509246 0.72 TSHR (0.46) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL7503519 0.68 TSHR (0.45) ALDH1A1HSD17B10HPGDKDM4EDHODH
SCHEMBL993102 0.68 HPGD (0.65) ALDH1A1HSD17B10HPGDKDM4EMAPK8
SCHEMBL4897624 0.67 KDM6B (0.69) ALDH1A1HSD17B10HPGDKDM4EKDM6B
SCHEMBL466141 0.67 PLK1 (0.63) ALDH1A1HSD17B10HPGDKDM4EMAPK8

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
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed