SCHEMBL9828094

SCHEMBL9828094

COc1cc(Br)c(OC)nc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NQO2 P16083 4/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PRKDC P78527 1/20 0.41
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
AMY1A P0DUB6 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
AXL P30530 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
ERN1 O75460 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17450949 0.85 CA2 (0.42) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL2433684 0.84 POLB (0.43) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL30103969 0.81 POLB (0.50) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL31414692 0.79 TAAR1 (0.53) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL26611762 0.79 TAAR1 (0.53) POLBL3MBTL1MAPTNPSR1HTR2A
SCHEMBL19407727 0.78 POLB (0.38) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL2435681 0.77 USP8 (0.41) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL19240443 0.76 NQO2 (0.40) POLBL3MBTL1MAPTNPSR1NQO2
SCHEMBL31214365 0.76 MEN1 (0.34) POLBMAPTNPSR1AMY1AALDH1A1
SCHEMBL19364026 0.75 POLB (0.36) POLBL3MBTL1MAPTNPSR1NQO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199324-B1 NEW 2,5-DIARYL TETRYHYDROFURANS AND ANALOGS THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1991-10-02 EP disclosed
EP-0322033-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1989-06-28 EP disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed