SCHEMBL17996905

SCHEMBL17996905

N#Cc1ccc2c(c1)nc1c3ccccc3n3c4ccc(C#N)cc4nc3c3c4c5ccccc5n(-c5ccccc5)c4ccc3n21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGER4 P35408 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP2 O95551 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 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
SCHEMBL17997070 0.97 KDM4E (0.41) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17996908 0.93 TDP2 (0.36) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL17996906 0.91 KDM4E (0.34) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17996911 0.85 PTGER4 (0.38) KDM4EALDH1A1PTGER4MAPTL3MBTL1
SCHEMBL17996904 0.85 KDM4E (0.47) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL17993488 0.84 KDM4E (0.51) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17996902 0.81 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1ATM
SCHEMBL17996910 0.78 KDM4E (0.42) KDM4EALDH1A1GAAPTGER4MAPT
SCHEMBL21890337 0.78 KDM4E (0.49) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL17996907 0.78 KDM4E (0.44) KDM4EALDH1A1GAAMAPTL3MBTL1

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-2016125110-A1 BISIMIDAZOLODIAZOCINES IDEMITSU KOSAN CO., LTD. (JP) 2016-08-11 — — WO disclosed
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