SCHEMBL23028831

SCHEMBL23028831

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C45c6ccccc6Sc6cccc(c64)-c4ccccc45)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
POLB P06746 2/20 0.31
ESR1 P03372 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
SCHEMBL23028828 0.92 MEN1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL23028813 0.90 L3MBTL1 (0.38) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL23028824 0.90 MEN1 (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21658518 0.89 GPR55 (0.35) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21658513 0.89 ADORA2A (0.37) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21744105 0.88 MEN1 (0.34) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21151565 0.88 GPR55 (0.36) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL23028825 0.87 MEN1 (0.47) MEN1KMT2AMAPTKDM4EADORA2A
SCHEMBL21151500 0.86 ALOX15 (0.35) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21151656 0.86 TSHR (0.37) MEN1KMT2AMAPTKDM4ELMNA

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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed