SCHEMBL23656169

SCHEMBL23656169

CCn1c2cccnc2c2c(N)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FBP1 P09467 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTGER4 P35408 1/20 0.37
RPS6KA5 O75582 2/20 0.36

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
SCHEMBL19009218 0.81 MAPK14 (0.50) MAPK14ALDH1A1KDM4EMEN1MAPT
SCHEMBL14243728 0.73 KDM4E (0.56) ALDH1A1KDM4EMEN1MAPTMAPK1
SCHEMBL13866623 0.73 PTGER4 (0.59) MAPK14ALDH1A1KDM4EMEN1MAPT
SCHEMBL20172103 0.72 KDM4E (0.39) KDM4EATML3MBTL1HSP90AA1HSP90AB1
SCHEMBL13556838 0.72 PTGER4 (0.43) MAPK14ALDH1A1KDM4EMEN1MAPT
SCHEMBL14329570 0.72 ALDH1A1 (0.42) MAPK14ALDH1A1KDM4EMEN1MAPT
SCHEMBL16871437 0.71 ALDH1A1 (0.53) MAPK14ALDH1A1KDM4EMEN1MAPT
SCHEMBL6126458 0.69 TLR8 (0.55) TLR8ALDH1A1KDM4EMAPTKMT2A
SCHEMBL19009213 0.69 MAPK14 (0.50) MAPK14ALDH1A1KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL6117497 0.68 TLR8 (0.54) TLR8ALDH1A1KDM4EMAPTKMT2A

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-3851443-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-07-21 EP disclosed