SCHEMBL22992001

SCHEMBL22992001

Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccc4oc5cc6ccccc6cc5c4c3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.39
PLA2G4A P47712 3/20 0.39
PLA2G10 O15496 1/20 0.39
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL22073882 0.96 AHR (0.38) PLA2G2APLA2G4APIM1CSNK2A2CSNK2B
SCHEMBL24404293 0.93 PLA2G2A (0.43) PLA2G2APLA2G4APLA2G10MEN1KMT2A
SCHEMBL19916939 0.93 PLA2G2A (0.43) PLA2G2APLA2G4APLA2G10MEN1KMT2A
SCHEMBL19916945 0.92 PLA2G2A (0.42) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL25132306 0.92 PLA2G2A (0.42) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL25132310 0.90 PLA2G2A (0.43) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL25818412 0.90 HSD17B1 (0.36) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL23283840 0.90 CYP1A2 (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL20871906 0.90 AHR (0.39) PLA2G2APLA2G4APLA2G10PIM1CSNK2A2
SCHEMBL25460107 0.89 PGR (0.43) PLA2G2APLA2G4APLA2G10MEN1KMT2A

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-2021029598-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-18 WO disclosed