SCHEMBL19981716

SCHEMBL19981716

Cc1cc2c(s1)CCC2O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
PNMT P11086 1/20 0.35
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1D P25100 5/20 0.32
ADRA1A P35348 5/20 0.32
ADRA1B P35368 5/20 0.32
ELAVL1 Q15717 1/20 0.32
PGR P06401 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
SCHEMBL13303498 0.89 UGT2B17 (0.47) UGT2B17PNMTMEN1TSHRCYP2C19
SCHEMBL17970208 0.87 UGT2B17 (0.42) UGT2B17PNMTMEN1TSHRCYP2C19
SCHEMBL19981482 0.81 PNMT (0.33) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL19981719 0.76 MAPK1 (0.32) UGT2B17
SCHEMBL12024884 0.76 UGT2B17 (0.32) UGT2B17
SCHEMBL2836592 0.75 GAA (0.32) MEN1RAB9AKMT2A
SCHEMBL2834972 0.72 PNMT (0.40) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL2835011 0.71 NPC1 (0.36) RAB9A
Hydrochloric Acid SCHEMBL10512635 0.69 NPC1 (0.35) RAB9A
SCHEMBL19981574 0.69 PNMT (0.44) PNMTMEN1TSHRCYP2C19RAB9A

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