SCHEMBL3973994

SCHEMBL3973994

CCOC(=O)Cc1c(C)c(Cc2cccn2S(=O)(=O)c2ccccc2)n2cc(C#N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
HTR6 P50406 2/20 0.36
RAPGEF4 Q8WZA2 4/20 0.34
PPME1 Q9Y570 4/20 0.33
MAPT P10636 1/20 0.32
APEH P13798 1/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
PLK1 P53350 1/20 0.32
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3968885 0.96 PPME1 (0.37) PTGDR2HTR6RAPGEF4PPME1MAPT
SCHEMBL3967733 0.93 PTGDR2 (0.40) PTGDR2RAPGEF4PPME1ALDH1A1MEN1
SCHEMBL3967149 0.93 RAPGEF4 (0.42) PTGDR2RAPGEF4PPME1ALDH1A1POLB
SCHEMBL3967602 0.91 RAPGEF4 (0.34) PTGDR2HTR6RAPGEF4PPME1POLB
SCHEMBL3967117 0.91 POLB (0.36) PTGDR2HTR6RAPGEF4PPME1CYP2C9
SCHEMBL3968063 0.91 HTR6 (0.34) PTGDR2HTR6RAPGEF4PPME1MAPT
SCHEMBL3971663 0.91 PTGDR2 (0.45) PTGDR2HTR6RAPGEF4PPME1APEH
SCHEMBL3967784 0.89 RAPGEF4 (0.35) PTGDR2HTR6RAPGEF4PPME1MAPT
SCHEMBL3964361 0.89 CYP3A4 (0.36) PTGDR2RAPGEF4MAPTCYP2C19CYP2C9
SCHEMBL3970978 0.87 PTGDR2 (0.49) PTGDR2HTR6RAPGEF4CYP2C19ALDH1A1

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