SCHEMBL3973410

SCHEMBL3973410

CCOC(=O)Cc1c(C)c(Cc2sccc2S(=O)(=O)c2ccccn2)n2cc(C#N)ccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
ELANE P08246 2/20 0.31
SLC34A1 Q06495 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL3974573 0.91 PTGDR2 (0.41) PTGDR2MEN1KMT2A
SCHEMBL3967751 0.84 PTGDR2 (0.39) PTGDR2MEN1GAAKMT2ASMN1; SMN2
SCHEMBL3965620 0.75 PTGDR2 (0.54) PTGDR2
SCHEMBL3968452 0.74 PTGDR2 (0.46) PTGDR2
SCHEMBL3969346 0.74 MEN1 (0.32) MEN1KMT2ASMN1; SMN2SLC34A1
SCHEMBL3968018 0.74 PTGDR2 (0.39) PTGDR2MEN1GAAKMT2ASMN1; SMN2
SCHEMBL3969315 0.74 P2RX3 (0.36) PTGDR2MAPK1MEN1KMT2AELANE
SCHEMBL3968970 0.74 PTGDR2 (0.46) PTGDR2MEN1GAAKMT2AELANE
SCHEMBL3969463 0.73 PTGDR2 (0.47) PTGDR2MEN1KMT2A
SCHEMBL3970488 0.73 SMN1; SMN2 (0.32) MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed