SCHEMBL22665291

SCHEMBL22665291

C1=CC2c3ccccc3-c3cc(-c4cccc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)ccc3C2C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.34
EDNRA P25101 3/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GP6 Q9HCN6 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL21968644 0.95 EDNRB (0.37) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL22505151 0.94 MEN1 (0.37) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL24061491 0.90 ESR1 (0.36) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL17281390 0.86 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22223222 0.86 MEN1 (0.45) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL24772137 0.84 MEN1 (0.38) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL23985911 0.82 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12014659 0.81 MEN1 (0.33) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL24594464 0.81 MEN1 (0.42) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL19762183 0.81 ADORA2A (0.46) MEN1KMT2AMAPTALDH1A1HPGD

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-3739645-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2020-11-18 EP disclosed