SCHEMBL21709362

SCHEMBL21709362

Brc1cc(-c2ccncc2)c2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MPI P34949 1/20 0.44
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IMPDH2 P12268 2/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRKCH P24723 1/20 0.39

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
SCHEMBL31491192 0.85 MEN1 (0.60) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13719437 0.85 MEN1 (0.60) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL23626057 0.81 CYP11B1 (0.65) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL29434773 0.80 CYP2A6 (0.48) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL25214715 0.79 MEN1 (0.50) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL30098840 0.79 MEN1 (0.50) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL18561796 0.79 MAPT (0.53) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL24870970 0.76 MAPT (0.46) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL30756642 0.75 TNF (0.63) KDM4EALDH1A1MAPTHPGDMAPK11
SCHEMBL13203236 0.75 TNF (0.63) KDM4EALDH1A1MAPTHPGDMAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed