SCHEMBL31394015

SCHEMBL31394015

Cc1cc(Br)cc2c1OCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PARP1 P09874 2/20 0.35
AHR P35869 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL6342164 1.00 MAPT (0.36) MAPTNPSR1RXFP1PARP1AHR
SCHEMBL31472199 0.89 NOTUM (0.32) MAPTNPSR1RXFP1
SCHEMBL153211 0.79 AHR (0.45) MAPTNPSR1RXFP1PARP1AHR
SCHEMBL8011587 0.79 PARP1 (0.37) PARP1NR3C1PGRNR3C2CYP2A6
SCHEMBL17178079 0.77 PARP1 (0.33) PARP1CYP2A6PTGS1PTGS2
SCHEMBL4100100 0.76 PARP1 (0.39) MAPTNPSR1RXFP1PARP1NR3C1
SCHEMBL30079633 0.76 MAPT (0.36) MAPTNPSR1RXFP1PARP1NR3C1
SCHEMBL14758337 0.76 MAPT (0.36) MAPTNPSR1RXFP1PARP1NR3C1
SCHEMBL21893243 0.76 ALOX15 (0.40) MAPTNPSR1RXFP1PARP1NR3C1
SCHEMBL30748780 0.76 PARP1 (0.42) MAPTNPSR1RXFP1PARP1NR3C1

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-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed