SCHEMBL3967751

SCHEMBL3967751

CCOC(=O)Cc1c(C)c(Cc2sccc2S(=O)(=O)c2ccc(F)cc2)n2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
PTGS2 P35354 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PTGDR Q13258 1/20 0.30
POLB P06746 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
SCHEMBL3968452 0.90 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3968018 0.88 PTGDR2 (0.39) PTGDR2SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3962109 0.86 PTGDR2 (0.39) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL3969463 0.86 PTGDR2 (0.47) PTGDR2MEN1KMT2APTGS2MAPT
SCHEMBL3972653 0.84 PTGDR2 (0.42) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL3973410 0.84 PTGDR2 (0.33) PTGDR2SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3970488 0.84 SMN1; SMN2 (0.32) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL3969346 0.83 MEN1 (0.32) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL3968252 0.82 PTGDR2 (0.38) PTGDR2MEN1KMT2AGAAALDH1A1
SCHEMBL3962084 0.81 PTGDR2 (0.39) PTGDR2MEN1KMT2AGAAALDH1A1

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