SCHEMBL21743582

SCHEMBL21743582

c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 7/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
NTSR1 P30989 1/20 0.42
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL21743392 0.96 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743596 0.96 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743399 0.95 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743398 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743379 0.92 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743382 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743637 0.91 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743613 0.91 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743635 0.91 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21152427 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDMAPT

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
WO-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed