SCHEMBL23814768

SCHEMBL23814768

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nn3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 7/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
NTSR1 P30989 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
AGTR1 P30556 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
BACE1 P56817 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL21677492 0.93 PDK2 (0.35) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL21651402 0.90 MEN1 (0.44) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL19298998 0.89 MEN1 (0.43) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL20619348 0.89 PDK2 (0.35) ADORA1ADORA2AADORA3MAPTTHRB
SCHEMBL19298992 0.89 MEN1 (0.43) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL21842589 0.89 MEN1 (0.43) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL21677705 0.89 PDK2 (0.40) MAPTTHRBAGTR1BACE1SMN1; SMN2
SCHEMBL19298741 0.89 MAPT (0.42) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL23565756 0.88 MEN1 (0.38) ADORA1ADORA2AADORA3MAPTMEN1
SCHEMBL20618910 0.88 MEN1 (0.38) ADORA1ADORA2AADORA3MAPTMEN1

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
US-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed