SCHEMBL19450413

SCHEMBL19450413

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8[nH]c9ccc%10ccccc%10c9c8c7)ccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
MGAM O43451 4/20 0.36
GAA P10253 4/20 0.36
SI P14410 4/20 0.36
MGAM2 Q2M2H8 4/20 0.36
NPY5R Q15761 1/20 0.36
LMNA P02545 1/20 0.35
PTGES O14684 1/20 0.34
ATM Q13315 2/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 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
SCHEMBL16785813 0.88 KDM4E (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16542830 0.88 KDM4E (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21152022 0.87 KDM4E (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL808392 0.87 KDM4E (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL14979601 0.87 CDK4 (0.51) CDK4CCND1ALDH1A1HPGDKDM4E
SCHEMBL14232907 0.86 KDM4E (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL14232931 0.86 KDM4E (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19450255 0.86 CDK4 (0.51) CDK4CCND1HPGDKDM4EL3MBTL1
SCHEMBL29645234 0.86 KDM4E (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL10246658 0.86 KDM4E (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1

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-2017175987-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 2017-10-12 WO disclosed
WO-2017175985-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME 주식회사 두산 2017-10-12 WO disclosed