SCHEMBL21743387

SCHEMBL21743387

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
NTSR1 P30989 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.33
PDK2 Q15119 1/20 0.32
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21743631 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743642 0.97 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743613 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743637 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743634 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743609 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743635 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743636 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743371 0.96 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21743398 0.95 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD

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