SCHEMBL19918690

SCHEMBL19918690

c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
TSPO P30536 2/20 0.34
NTSR1 P30989 1/20 0.34
PDE10A Q9Y233 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
PTGER4 P35408 1/20 0.32
PTGES O14684 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 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
SCHEMBL19918516 0.98 MEN1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19918692 0.92 L3MBTL1 (0.37) ALDH1A1HPGDKDM4ETSPOPDE10A
SCHEMBL19918518 0.92 L3MBTL1 (0.37) ALDH1A1HPGDKDM4ETSPOPDE10A
SCHEMBL19918515 0.91 L3MBTL1 (0.38) ALDH1A1HPGDKDM4ETSPOPDE10A
SCHEMBL19918513 0.90 L3MBTL1 (0.37) ALDH1A1HPGDKDM4ETSPOPDE10A
SCHEMBL19918509 0.90 L3MBTL1 (0.37) ALDH1A1HPGDKDM4ETSPOPDE10A
SCHEMBL19918471 0.90 ATM (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19918710 0.90 ATM (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19918453 0.90 ATM (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL12496099 0.89 PDE10A (0.36) MEN1KMT2AALDH1A1HPGDMAPT

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed