SCHEMBL21478033

SCHEMBL21478033

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6C6(c7ccccc7Sc7ccccc76)c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
NTSR1 P30989 1/20 0.33
MAOB P27338 3/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPK10 P53779 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDK2 Q15119 1/20 0.30
MAOA P21397 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
SCHEMBL22073912 0.94 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21477930 0.93 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21478028 0.92 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22077803 0.91 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23814871 0.91 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21478021 0.91 MEN1 (0.32) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22073919 0.90 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21151245 0.90 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24844555 0.90 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21151246 0.90 MEN1 (0.41) 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
WO-2019199068-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-17 WO disclosed