SCHEMBL12835259

SCHEMBL12835259

O=C(CI)Nc1ccnc2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 6/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
KDM4A O75164 2/20 0.50
EGLN1 Q9GZT9 2/20 0.50
RAB9A P51151 2/20 0.50
HIF1AN Q9NWT6 1/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
MMP2 P08253 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CDC7 O00311 1/20 0.41

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
SCHEMBL7924722 0.74 KDM4E (0.57) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL5580125 0.73 TDP1 (0.66) TDP1KDM4EL3MBTL1LMNATP53
SCHEMBL9729961 0.72 EP300 (0.60) IDO1
SCHEMBL7032474 0.72 IDO1 (0.61) TDP1KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL763528 0.71 KDM1A (0.57) TDP1KDM4ERAB9ALMNATP53
SCHEMBL15389970 0.70 MAPT (0.68) TDP1KDM4ERAB9AMAPTTSHR
SCHEMBL30365226 0.69 TOP2A (0.52) KDM4EL3MBTL1KDM4AEGLN1RAB9A
SCHEMBL30668494 0.69 KDM4E (0.66) TDP1KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL1333120 0.69 KDM4E (0.66) TDP1KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL27302705 0.68 CDK5 (0.61) KDM4EL3MBTL1TP53CDC7AURKA

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-2011024887-A1 CONJUGATE CONTAINING CYCLIC PEPTIDE AND METHOD FOR PRODUCING SAME 国立大学法人 岡山大学 (JP) 2011-03-03 WO disclosed