SCHEMBL17997070

SCHEMBL17997070

N#Cc1ccc2c(c1)nc1c3c4c5ccccc5n(-c5ccccc5)c4ccc3n3c4ccc(C#N)cc4nc3c3c4c5ccccc5n(-c5ccccc5)c4ccc3n21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ TDP2 O95551 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.33
▸ ENPP3 O14638 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
SCHEMBL17996905 0.97 KDM4E (0.39) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL17996908 0.89 TDP2 (0.36) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL17996906 0.87 KDM4E (0.34) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL17996902 0.84 KDM4E (0.47) KDM4EALDH1A1L3MBTL1ATMMAPT
SCHEMBL17996911 0.82 PTGER4 (0.38) KDM4EALDH1A1L3MBTL1ATMPTGER4
SCHEMBL17996904 0.81 KDM4E (0.47) KDM4EALDH1A1GAAL3MBTL1ATM
SCHEMBL17996907 0.80 KDM4E (0.44) KDM4EALDH1A1GAAL3MBTL1ATM
SCHEMBL17993488 0.79 KDM4E (0.51) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL19702132 0.78 KDM4E (0.46) KDM4EL3MBTL1ATMTDP2
SCHEMBL21890337 0.78 KDM4E (0.49) KDM4EALDH1A1GAAL3MBTL1ATM

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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