SCHEMBL30103056

SCHEMBL30103056

COc1ccc(-c2ncc(CBr)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.56
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
PTGS2 P35354 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
XDH P47989 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
SCHEMBL8077057 0.84 CLK4 (0.58) CLK4KDM4EMAPTTP53CASP3
SCHEMBL24784552 0.82 CLK4 (0.56) CLK4KDM4EMAPTTP53CASP3
SCHEMBL30103025 0.80 CLK4 (0.63) CLK4MAPTTP53NPC1RAB9A
SCHEMBL24785078 0.80 CLK4 (0.63) CLK4MAPTTP53NPC1RAB9A
SCHEMBL507598 0.78 KCNH2 (0.42)
SCHEMBL21551139 0.77 NPC1 (0.55) KDM4EMAPTTP53SIRT2NPC1
SCHEMBL4416324 0.77 CLK4 (0.64) CLK4KDM4EMAPTTP53CASP3
SCHEMBL3236630 0.77 MAOB (0.59) TP53CASP3SENP8SENP7SENP6
SCHEMBL13028979 0.76 CLK4 (0.58) CLK4KDM4EMAPTTP53NPC1
SCHEMBL9457220 0.76 CASP3 (0.68) CLK4KDM4EMAPTCASP3SENP8

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
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed