SCHEMBL21728208

SCHEMBL21728208

CC(C)(c1ccc(C2=CCCc3cccnc32)cc1)c1ccc(-c2nc(C3=CCCC=C3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NTSR1 P30989 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL21728239 0.95 TOP1 (0.33) TOP1
SCHEMBL21728331 0.87 MEN1 (0.33) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728198 0.84
SCHEMBL21728325 0.82 MEN1 (0.40) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728224 0.81
SCHEMBL21728329 0.81 MEN1 (0.40) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728241 0.80 MEN1 (0.39) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728515 0.79 MEN1 (0.41) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728242 0.77 CYP1A1 (0.40) MEN1KMT2ANTSR1ALDH1A1MAPT
SCHEMBL21728486 0.77 MEN1 (0.41) MEN1KMT2ANTSR1ALDH1A1MAPT

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