SCHEMBL20172233

SCHEMBL20172233

Nc1ccc2c(c1)N(c1ccccc1)c1ccc(Nc3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.40
GNB1 P62873 2/20 0.40
CDK8 P49336 4/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL20307931 0.88 NPC1 (0.45) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22104336 0.86 GNG2 (0.46) GNG2GNB1CDK8LMNAPGR
SCHEMBL29214105 0.86 MAPT (0.40) CDK8LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10043567 0.85 MAPT (0.45) CDK8LMNANPC1RAB9ASMN1; SMN2
SCHEMBL22825285 0.84 GNG2 (0.49) GNG2GNB1CDK8LMNAPGR
SCHEMBL21415084 0.82 CDK8 (0.38) GNG2GNB1CDK8PGR
SCHEMBL12199657 0.82 GNG2 (0.49) GNG2GNB1CDK8LMNAPGR
SCHEMBL20172118 0.81 CDK8 (0.38) GNG2GNB1CDK8
SCHEMBL18389066 0.80 MAPT (0.46) CDK8LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10648863 0.77 MAPT (0.35) LMNANPC1RAB9ASMN1; SMN2MAPT

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
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed