SCHEMBL21546207

SCHEMBL21546207

Nc1ccc2c(c1)[C@H]1C=CC=CC1O2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL22367908 1.00 CA12 (0.31) CA12CA1CA2CA9KDM4E
SCHEMBL18678248 0.86 KDM4E (0.30) KDM4EGAAMAPT
SCHEMBL12228984 0.79 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL21913849 0.79 GAA (0.34) GAA
SCHEMBL17677601 0.79 GAA (0.34) GAA
SCHEMBL23934782 0.77 TAAR1 (0.35)
SCHEMBL16569069 0.75 ENPP2 (0.32) CA1CA2
SCHEMBL12435689 0.75 LMNA (0.31)
SCHEMBL450880 0.73 CHRM1 (0.38)
SCHEMBL19294638 0.71 POLB (0.37)

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-3266790-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2019-11-06 EP disclosed