SCHEMBL28039253

SCHEMBL28039253

Nc1nc2c(nc1N(c1ccccc1)c1ccccc1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 6/20 0.39
BCHE P06276 6/20 0.39
ACHE P22303 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL28174445 0.70 MAPT (0.39) KDM4EHSD17B10ALDH1A1ACHECYP1A2
SCHEMBL3126141 0.67 MAPT (0.43) KDM4EHSD17B10ALDH1A1BCHEACHE
SCHEMBL31510227 0.67 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL28863933 0.64 MAPT (0.45) KDM4EALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL13296163 0.64 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL218046 0.64 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2CYP2D6TSHR
Cyclopropane SCHEMBL27460936 0.62 ALDH1A1 (0.57) KDM4EALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL11073212 0.62 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL2926573 0.61 KMT2A (0.56) KDM4EHSD17B10ALDH1A1BCHEACHE
SCHEMBL717382 0.61 KDM4E (0.47) KDM4EHSD17B10ALDH1A1BCHEACHE

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
CN-105051927-B Azabenzimidazole carbene ligands as efficiency enhancers in OLEDs UDC 爱尔兰有限责任公司 2020-10-16 CN disclosed
CN-105051927-A Azabenzimidazole carbene complexes as efficiency booster in OLEDs BASF SE 2015-11-11 CN disclosed