SCHEMBL21743607

SCHEMBL21743607

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5Sc5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NTSR1 P30989 1/20 0.34
GLA P06280 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK10 P53779 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL21743393 0.99 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21744106 0.93 MEN1 (0.31) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743623 0.92 GP6 (0.31) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL21743640 0.92 GP6 (0.31) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL24905527 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743600 0.92 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743386 0.92 MEN1 (0.32) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743665 0.91 MEN1 (0.31) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL24905788 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21743383 0.90 MEN1 (0.35) 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