SCHEMBL21728486

SCHEMBL21728486

CC(c1ccccc1)(c1ccc(-c2nc(C3=CCCC=C3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
HPGD P15428 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 7/20 0.41
NTSR1 P30989 1/20 0.41
KDM4E B2RXH2 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
ADORA1 P30542 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADORA2A P29274 1/20 0.36
AGTR1 P30556 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TACR3 P29371 1/20 0.33

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
SCHEMBL21728325 0.89 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728329 0.88 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728241 0.87 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728515 0.85 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728242 0.84 CYP1A1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17887252 0.83 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725332 0.83 MEN1 (0.58) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL17725542 0.83 MEN1 (0.58) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728307 0.82 MEN1 (0.35) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL24222663 0.82 AGTR1 (0.50) MEN1KMT2AHPGDALDH1A1MAPT

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