SCHEMBL17570822

SCHEMBL17570822

C[C@H]1C=c2c(oc3ccc(-c4ccccc4)cc23)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.38
PLA2G4A P47712 4/20 0.38
PRKDC P78527 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G10 O15496 1/20 0.34
PGR P06401 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 2/20 0.32
PTPN2 P17706 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CCR2 P41597 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL21101503 0.89 ALDH1A1 (0.32) KDM4EMAPTALDH1A1TP53HPGD
SCHEMBL21101411 0.88 HPGD (0.39) L3MBTL1KDM4EMAPTMEN1KMT2A
SCHEMBL19368833 0.77 PLA2G2A (0.36) PLA2G2APLA2G4APRKDCGAAL3MBTL1
SCHEMBL17570858 0.77 PLA2G2A (0.44) PLA2G2APLA2G4APRKDCGAAL3MBTL1
SCHEMBL21429587 0.72 KMT2A (0.36) PLA2G2APLA2G4AGAAPLA2G10KDM4E
SCHEMBL10118468 0.69 MAPT (0.38) PLA2G2APLA2G4AGAAL3MBTL1PLA2G10
SCHEMBL14295997 0.68 PLA2G2A (0.58) PLA2G2APLA2G4APRKDCGAAL3MBTL1
SCHEMBL21151721 0.68 PLA2G2A (0.58) PLA2G2APLA2G4APRKDCGAAL3MBTL1
SCHEMBL1784272 0.68 PLA2G2A (0.58) PLA2G2APLA2G4APRKDCGAAL3MBTL1
SCHEMBL9889816 0.65 PLA2G2A (0.55) PLA2G2APLA2G4APRKDCGAAL3MBTL1

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
EP-2993215-A1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications Idemitsu Kosan Co., Ltd. (JP) 2016-03-09 EP disclosed