SCHEMBL960591

SCHEMBL960591

O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1ncc(Br)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
LIPE Q05469 4/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGES O14684 1/20 0.34
NCEH1 Q6PIU2 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
SCHEMBL13499905 0.71 CCNE1 (0.65) TDP1CCNE1CDK2CDK5RAB9A
SCHEMBL10871503 0.68 L3MBTL1 (0.70) ATMTDP1L3MBTL1LIPERAB9A
SCHEMBL29937801 0.66 L3MBTL1 (0.44) ATMTDP1L3MBTL1LIPERAB9A
SCHEMBL6687991 0.65 L3MBTL1 (0.66) ATMTDP1L3MBTL1LIPERAB9A
SCHEMBL12475977 0.64 MLYCD (0.51) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL12420813 0.64 L3MBTL1 (0.45) ATMTDP1L3MBTL1LIPERAB9A
SCHEMBL1444774 0.64 TDP1 (0.63) ATMTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL9061345 0.63 TDP1 (0.47) ATMTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL149840 0.63 SMN1; SMN2 (0.34) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL1428351 0.63 USP30 (0.37) CCNE1CDK2CDK5RAB9ASMN1; SMN2

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
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed