SCHEMBL3810045

SCHEMBL3810045

Cc1ccc(C(=O)N(Cc2ccc(F)cc2F)c2cc(-c3ccccc3)sc2OC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.35
MAPK14 Q16539 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
NR3C1 P04150 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RY14 Q15391 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
S1PR1 P21453 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL2158259 0.87 MEN1 (0.40) PTGER1KDM4EMEN1KMT2ATAS2R14
SCHEMBL3816732 0.86 TSPO (0.42) PTGER1NR3C1MEN1KMT2A
SCHEMBL3811206 0.85 HSD17B1 (0.36) KMT2ANPC1RAB9ATAS2R14
SCHEMBL3807325 0.84 NPC1 (0.47) MEN1KMT2ANPC1RAB9A
SCHEMBL3812133 0.84 RAB9A (0.35) MEN1KMT2ANPC1RAB9AP2RY14
SCHEMBL3809097 0.83 LTB4R2 (0.41) PTGER1KDM4ETSHRMEN1KMT2A
SCHEMBL3809662 0.83 ALDH1A1 (0.38) PTGER1KDM4ETSHRMEN1KMT2A
SCHEMBL3809827 0.82 MAPT (0.37) PTGER1KDM4ENR3C1MEN1KMT2A
SCHEMBL2878959 0.82 TSHR (0.40) KDM4ETSHRMEN1KMT2ANPC1
SCHEMBL3807289 0.81 RIPK1 (0.41) PTGER1S1PR1

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed