SCHEMBL23078065

SCHEMBL23078065

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-c6cc7ccccc7c7ccccc67)ccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.36
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
NPY5R Q15761 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR6 P50406 2/20 0.31
ALOX5 P09917 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23078193 0.99 TSPO (0.35) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL23078578 0.99 TSPO (0.35) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL23078489 0.98 TSPO (0.38) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL23077977 0.97 TSPO (0.38) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL23078278 0.96 CA12 (0.35) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL24903066 0.95 CYP11B1 (0.37) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL20009931 0.95 CYP11B1 (0.37) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL24902666 0.93 CYP11B1 (0.34) TSPOCYP11B1ALDH1A1KDM4EMEN1
SCHEMBL23078064 0.93 CYP11B1 (0.34) CYP11B1ALDH1A1KDM4EMEN1MAPT
SCHEMBL14849460 0.93 CYP11B1 (0.34) TSPOCYP11B1ALDH1A1KDM4EMEN1

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
WO-2021045347-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-11 WO disclosed