SCHEMBL19981719

SCHEMBL19981719

CC(C)c1cc2c(s1)CCC2O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
UGT2B17 O75795 2/20 0.32

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
SCHEMBL13303619 0.90 UGT2B17 (0.40) MAPK1GFERUGT2B17
SCHEMBL13363416 0.88 UGT2B17 (0.36) MAPK1GFERUGT2B17
SCHEMBL19981716 0.76 UGT2B17 (0.38) UGT2B17
SCHEMBL12024884 0.71 UGT2B17 (0.32) UGT2B17
SCHEMBL13303498 0.66 UGT2B17 (0.47) UGT2B17
SCHEMBL2720129 0.64 MAPK1 (0.31) MAPK1GFER
SCHEMBL13351648 0.64 RAB9A (0.43) MAPK1
SCHEMBL11987733 0.62 UGT2B17 (0.40) UGT2B17
SCHEMBL11987809 0.62 KCNH2 (0.41) MAPK1UGT2B17
SCHEMBL19981490 0.62 UGT2B17 (0.40) UGT2B17

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-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed