SCHEMBL21728348

SCHEMBL21728348

C1=CC(c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(C6=CCCc7ccccc76)cc5)CCCCC4)cc3)n2)=CCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.31
NTSR1 P30989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL21728287 0.91
SCHEMBL21728402 0.90
SCHEMBL21728316 0.90
SCHEMBL21728198 0.88
SCHEMBL21728448 0.87 MEN1 (0.39) MEN1KMT2AHPGDNTSR1ALDH1A1
SCHEMBL21728214 0.86 MEN1 (0.38) MEN1KMT2AHPGDNTSR1ALDH1A1
SCHEMBL21728466 0.85
SCHEMBL21728295 0.85 MEN1 (0.37) MEN1KMT2AHPGDNTSR1ALDH1A1
SCHEMBL21728136 0.84 PGR (0.32)
SCHEMBL21728297 0.84 PGR (0.39) MEN1KMT2AHPGDNTSR1ALDH1A1

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