SCHEMBL31070548

SCHEMBL31070548

c1ccc2c(-c3ccc4c(c3)CNC4)coc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
GSK3B P49841 4/20 0.39
GSK3A P49840 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CD274 Q9NZQ7 3/20 0.37
PTP4A3 O75365 1/20 0.37
PIN1 Q13526 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
PTPN1 P18031 1/20 0.34
SYK P43405 1/20 0.34
GRK2 P25098 1/20 0.33
CDK2 P24941 1/20 0.33
PDGFRB P09619 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
NFKB1 P19838 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
SCHEMBL30593259 0.89 CD274 (0.51) MIFGSK3BGSK3ACD274SYK
SCHEMBL25404671 0.89 CD274 (0.51) MIFGSK3BGSK3ACD274SYK
SCHEMBL11548879 0.71 MIF (0.48) MIFGSK3BCHRM2CHRM4CHRM5
SCHEMBL31070511 0.71 NR4A2 (0.53) PDGFRB
SCHEMBL31083760 0.71 CD274 (0.53) GSK3BGSK3ACD274
SCHEMBL25406535 0.71 CD274 (0.53) GSK3BGSK3ACD274
SCHEMBL1310425 0.70 PIN1 (0.56) MIFCHRM2CHRM4CHRM5CHRM1
SCHEMBL2490828 0.70 CHRM2 (0.50) MIFGSK3BCHRM2CHRM4CHRM5
SCHEMBL31070627 0.70 ERN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29543520 0.69 PTPRC (0.46) CD274PTPN1

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed