SCHEMBL30540337

SCHEMBL30540337

NC(=O)c1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PARP10 Q53GL7 1/20 0.45
EPHX2 P34913 1/20 0.44
PARP1 P09874 1/20 0.42
BRAF P15056 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN9A Q15858 4/20 0.40
ALPL P05186 1/20 0.40
KCNN4 O15554 1/20 0.40
CHEK2 O96017 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2690674 0.86 EPHX2 (0.55) SLC6A2SLC6A4PARP10EPHX2PARP1
SCHEMBL1110964 0.84 HTT (0.50) EPHX2BRAFMAPK1IDO1TDO2
SCHEMBL10976475 0.84 EPHX2 (0.45) EPHX2BRAFMAPK1KCNN4IDO1
SCHEMBL3641624 0.83 APP (0.50) SLC6A2SLC6A4PARP1MAPK1
SCHEMBL12970641 0.83 SLC6A2 (0.46) SLC6A2SLC6A4PARP10EPHX2PARP1
SCHEMBL30975811 0.83 EPHX2 (0.47) EPHX2BRAFKCNN4IDO1TDO2
SCHEMBL2796916 0.83 EPHX2 (0.47) EPHX2BRAFKCNN4IDO1TDO2
SCHEMBL1791812 0.83 EPHX2 (0.44) EPHX2BRAFMAPK1KCNN4IDO1
SCHEMBL3784022 0.83 SLC6A2 (0.46) SLC6A2SLC6A4PARP10EPHX2PARP1
SCHEMBL12291294 0.82 EPHX2 (0.38) SLC6A2SLC6A4PARP10EPHX2BRAF

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-116710434-A Modulators of MAS-related G protein receptor X2 and related products and uses thereof 伊赛恩特制药公司 2023-09-05 CN disclosed