SCHEMBL19981482

SCHEMBL19981482

Cc1cc2c(s1)CCC(O)C2O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
ADRA1D P25100 5/20 0.31
ADRA1A P35348 5/20 0.31
ADRA1B P35368 5/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL19981716 0.81 UGT2B17 (0.38) PNMTADRA1DADRA1AADRA1BMEN1
SCHEMBL12024897 0.77
SCHEMBL13303498 0.74 UGT2B17 (0.47) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL17970208 0.73 UGT2B17 (0.42) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL2921714 0.72 PNMT (0.31) PNMT
SCHEMBL10513171 0.67 PNMT (0.31) PNMT
SCHEMBL19981574 0.67 PNMT (0.44) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL2845448 0.66 KDM4E (0.38) PNMTMEN1TSHRCYP2C19RAB9A
SCHEMBL19643822 0.66 SIRT1 (0.41) MEN1TSHRCYP2C19RAB9AKMT2A
Hydrochloric Acid SCHEMBL18424960 0.66 MEN1 (0.37) 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