SCHEMBL5364332

SCHEMBL5364332

Cc1c(C(=O)OCc2ccccc2)c(-c2ccc(C#N)cc2)c(C)n1Cc1nc(C(=O)O)cs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.58
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5356694 0.93 AR (0.57) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5363522 0.93 AR (0.57) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5364810 0.91 AR (0.59) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5361382 0.80 AR (0.48) ARMAPK1KDM4ELMNAMAPT
SCHEMBL6468898 0.77 AR (0.64) ARMAPK1KDM4ELMNAMAPT
SCHEMBL6468911 0.75 AR (1.00) ARLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3081369 0.73 MAPK1 (0.43) ARMAPK1KDM4ELMNAMAPT
SCHEMBL6469698 0.71 AR (0.61) ARKDM4ELMNAMAPTFNTA
SCHEMBL6469303 0.71 AR (0.67) ARMAPT
SCHEMBL5359751 0.69 LMNA (0.52) ARMAPK1KDM4ELMNAMAPT

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-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed