SCHEMBL15775437

SCHEMBL15775437

Cc1cccc(C(N)=O)c1NC(=O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
S1PR4 O95977 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
OGG1 O15527 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL15775319 0.88 KDM4E (0.59) KDM4ERAB9ANPC1POLBKMT2A
SCHEMBL15775601 0.87 KDM4E (0.61) KDM4EPOLBKMT2APDCD1CD274
SCHEMBL15775402 0.86 KDM4E (0.77) KDM4ERAB9ANPC1TP53POLB
SCHEMBL15775229 0.86 KDM4E (0.57) KDM4ERAB9ANPC1PARP1PARP2
SCHEMBL15775220 0.83 KDM4E (0.58) KDM4ERAB9ANPC1TP53KMT2A
SCHEMBL15775332 0.83 ALDH1A1 (0.55) KDM4ERAB9ANPC1TP53PARP1
SCHEMBL15775483 0.82 ALDH1A1 (0.54) KDM4ERAB9ANPC1TP53MAPK1
SCHEMBL15775205 0.81 RORC (0.54) KDM4ERAB9ANPC1POLBKMT2A
SCHEMBL9522953 0.80 S1PR4 (0.56) KDM4ERAB9ANPC1POLBKMT2A
SCHEMBL21590301 0.79 MEN1 (0.55) KDM4ERAB9ANPC1TP53MAPK1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed