SCHEMBL28064850

SCHEMBL28064850

Cc1c(C(=O)N(CCO)c2ccc(S(C)(=O)=O)cc2)c[nH]c1-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
GPBAR1 Q8TDU6 8/20 0.38
RORC P51449 1/20 0.34
CRHR1 P34998 1/20 0.34
HSD11B1 P28845 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KMT2A Q03164 1/20 0.32
PTGS2 P35354 2/20 0.32
ESR1 P03372 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1384146 0.77 NR3C2 (0.59) NR3C2
SCHEMBL3302698 0.72 TAS2R14 (0.47) HSD11B1CTNNB1WNT3A
SCHEMBL29410865 0.72 TAS2R14 (0.47) HSD11B1CTNNB1WNT3A
SCHEMBL30889359 0.71 KDM4E (0.45) CTNNB1WNT3A
SCHEMBL31407282 0.71 PARP1 (0.46) HSD11B1CTNNB1WNT3ASMN1; SMN2
SCHEMBL16549389 0.69 KDM4E (0.56)
SCHEMBL2024463 0.69 NR4A2 (0.47) KMT2ASMN1; SMN2
SCHEMBL29575721 0.69 NR4A2 (0.47) KMT2ASMN1; SMN2
SCHEMBL30038582 0.68 CFTR (0.46) NR3C2
SCHEMBL2358001 0.67 NR3C2 (0.60) NR3C2PTGS2ESR1

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
CN-105473552-A Method for producing pyrrole derivative, and intermediate thereof DAIICHI SANKYO CO LTD 2016-04-06 CN disclosed