SCHEMBL5179312

SCHEMBL5179312

CCCC(N)CCNc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ AR P10275 7/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASR P41180 1/20 0.33
▸ BRD4 O60885 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ PARP15 Q460N3 4/20 0.31
▸ PARP10 Q53GL7 3/20 0.31
▸ PARP3 Q9Y6F1 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL17142241 0.79 KDM4E (0.38) PIK3CDKDM4ETDP1BRD4ELANE
SCHEMBL3069941 0.76 PIK3CD (0.47) PIK3CDARKDM4ETDP1PARP15
SCHEMBL438637 0.76 AR (0.47) PIK3CDARKDM4ETDP1CASR
SCHEMBL3088454 0.74 PIK3CD (0.51) PIK3CDARKDM4ETDP1PARP15
SCHEMBL17142190 0.73 KDM4E (0.37) PIK3CDARKDM4ETDP1BRD4
SCHEMBL3090005 0.73 PIK3CD (0.53) PIK3CDARKDM4ETDP1PARP15
SCHEMBL5917486 0.71 KDM4E (0.52) PIK3CDARKDM4ETDP1PARP15
SCHEMBL17142230 0.70 KDM4E (0.43) PIK3CDARKDM4ETDP1PARP15
SCHEMBL6263855 0.69 KDM4E (0.37) PIK3CDARKDM4ETDP1BRD4
SCHEMBL20031842 0.69 SPHK1 (0.46) TDP1

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
EP-1497664-B1 METHOD OF DETECTING AND LOCATING TRACES OF BLOOD AND A COMPOUND FOR DETECTING TRACES OF BLOOD ROC IMP (MC) 2007-03-21 — — EP disclosed
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