SCHEMBL22970237

SCHEMBL22970237

C1=CC(c2ccc3ccc(-c4ccc5ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)nc5c4)nc3c2)Nc2c1ccc1ccc(-c3ccccc3)nc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
IGF1R P08069 2/20 0.30
CYP3A4 P08684 2/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17146613 0.83 PARP1 (0.35) MEN1KMT2ARAB9A
SCHEMBL21616033 0.82 PARP1 (0.34) MEN1KMT2ARAB9A
SCHEMBL22111564 0.82 PARP1 (0.36) MEN1KMT2ARAB9A
SCHEMBL21468373 0.82 PARP1 (0.36) MEN1KMT2ARAB9A
SCHEMBL22970424 0.82 IGF1R (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22970179 0.81 KDM4E (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22970233 0.79 TOP1 (0.30)
SCHEMBL23954437 0.79 PARP1 (0.37) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL22970161 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22970547 0.78 DHODH (0.31) IGF1RCYP3A4

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-2021025356-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2021-02-11 WO disclosed