SCHEMBL21159702

SCHEMBL21159702

C/C=C\c1c(N)cccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
ATM Q13315 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TNF P01375 1/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP1B1 Q16678 3/20 0.35

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
SCHEMBL21160265 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL21159673 0.81 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL20120117 0.80 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EADORA2AADORA3
SCHEMBL8053087 0.75 L3MBTL1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL27456218 0.75 L3MBTL1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL23099306 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL14079809 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13871680 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL29906256 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL18118591 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed