SCHEMBL21159673

SCHEMBL21159673

C/C=C\c1c(N)cccc1-c1ccc(-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
BACE1 P56817 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL21159674 0.83 BACE1 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21159702 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL20120117 0.80 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EADORA2AADORA3
SCHEMBL21159906 0.80 BACE1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21160265 0.79 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL25819582 0.74 ESR1 (0.49) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL17655816 0.74 ESR1 (0.55) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21188091 0.74 ESR1 (0.55) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL23633506 0.74 ESR1 (0.59) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21188134 0.74 ESR1 (0.59) 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
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 EP disclosed