SCHEMBL17451968

SCHEMBL17451968

O=P(c1ccccc1)(c1ccc(-c2ccncn2)cc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 6/20 0.40
TOP1 P11387 1/20 0.39
CYP2C9 P11712 4/20 0.36
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP2D6 P10635 2/20 0.35
HDAC4 P56524 1/20 0.34
ROCK1 Q13464 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
ROCK2 O75116 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17452053 0.86 KDM4E (0.50) KDM4ELMNAPOLBCYP3A4TOP1
SCHEMBL17451944 0.84 KDM4E (0.43) KDM4ELMNAPOLBCYP3A4TOP1
SCHEMBL5760742 0.81 TOP1 (0.43) KDM4ELMNAPOLBTOP1ALDH1A1
SCHEMBL17451959 0.80 CYP2C9 (0.40) KDM4ECYP3A4CYP2C9MAPK13RAF1
SCHEMBL17451881 0.79 TOP1 (0.42) KDM4ELMNAPOLBTOP1MAPT
SCHEMBL14339295 0.79 LMNA (0.46) KDM4ELMNAPOLBCYP3A4TOP1
SCHEMBL17451883 0.78 HDAC8 (0.48) KDM4ELMNAPOLBTOP1CYP2C9
SCHEMBL14339276 0.78 LMNA (0.45) KDM4ELMNAPOLBCYP3A4TOP1
SCHEMBL14339278 0.78 LMNA (0.45) KDM4ELMNAPOLBCYP3A4TOP1
SCHEMBL14339284 0.78 LMNA (0.45) KDM4ELMNAPOLBCYP3A4TOP1

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
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 US disclosed