SCHEMBL3712059

SCHEMBL3712059

COC(=O)C(C)=NNc1ccc(C)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 9/20 0.43
NPC1 O15118 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3712056 1.00 HPGD (0.45) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL12581928 0.84 ALDH1A1 (0.41) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL31300805 0.83 MEN1 (0.39) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL23799825 0.83 MEN1 (0.39) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL23799823 0.83 MEN1 (0.39) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL14651323 0.82 SMN1; SMN2 (0.41) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL8328486 0.81 PDK1 (0.43) HPGDKMT2AMEN1POLBRAB9A
SCHEMBL18512240 0.80 TDP1 (0.48) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL14504048 0.79 SIGMAR1 (0.47) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL17046623 0.77 MEN1 (0.52) HPGDKMT2AMEN1POLBSMN1; 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
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed