SCHEMBL21699617

SCHEMBL21699617

c1ccc(Cc2c(-c3ccccc3)nc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)n2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 6/20 0.34
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
ALDH1A1 P00352 5/20 0.32
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL37608 0.82 BCHE (0.54) BCHEACHEMGAMGAASI
SCHEMBL37629 0.73 BCHE (0.55) BCHEACHEMGAMGAASI
SCHEMBL16104350 0.72 BCHE (0.39) BCHEACHEMGAMGAASI
SCHEMBL634392 0.68 ALDH1A1 (0.48) ACHEALDH1A1HPGDMAPTTSHR
SCHEMBL12912443 0.67 ESR1 (0.42) GAAALDH1A1MAPT
SCHEMBL8930915 0.66 OPRD1 (0.33) ACHE
SCHEMBL12912435 0.65 ESR1 (0.55) RAB9AGAAALDH1A1HPGDMAPT
SCHEMBL12716606 0.64 L3MBTL1 (0.49) ACHEALDH1A1HPGDMAPTTSHR
SCHEMBL13292899 0.64 CYP1A2 (0.37) ACHEGSK3BALDH1A1HPGDMAPT
SCHEMBL12200434 0.64 ALDH1A1 (0.41) ACHENPC1RAB9AALDH1A1HPGD

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-2996169-B1 ORGANIC LIGHT EMITTING DIODE LG DISPLAY CO LTD (KR) 2020-02-12 EP disclosed