SCHEMBL21728110

SCHEMBL21728110

C1=CC(c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8c7C=CCC8)c6)cc5)CCCCC4)cc3)n2)=CCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
PGR P06401 1/20 0.31
NR1I2 O75469 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
SCHEMBL21728497 1.00 HSD11B1 (0.32) HSD11B1PGRNR1I2
SCHEMBL21728115 0.94
SCHEMBL21728469 0.94 PGR (0.33) HSD11B1PGR
SCHEMBL21728293 0.94
SCHEMBL21728136 0.92 PGR (0.32) HSD11B1PGR
SCHEMBL21728186 0.88 PGR (0.39) HSD11B1PGRNR1I2
SCHEMBL21728203 0.84 PGR (0.32) HSD11B1PGRNR1I2
SCHEMBL21728300 0.84 PGR (0.32) HSD11B1PGRNR1I2
SCHEMBL21728291 0.84 HSD11B1 (0.33) HSD11B1PGRNR1I2
SCHEMBL21728316 0.84

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-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed