SCHEMBL5363522

SCHEMBL5363522

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.57
PRKCZ Q05513 2/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL5364332 0.93 AR (0.58) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5356694 0.92 AR (0.57) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5364810 0.89 AR (0.59) ARMAPK1KDM4ELMNAMAPT
SCHEMBL5361382 0.86 AR (0.48) ARMAPK1KDM4ELMNAMAPT
SCHEMBL6468898 0.75 AR (0.64) ARMAPK1KDM4ELMNAMAPT
SCHEMBL14347629 0.75 AR (0.43) ARMAPK1KDM4EFNTAFNTB
SCHEMBL6468911 0.73 AR (1.00) ARLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3086581 0.73 MAPK1 (0.42) ARMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14348316 0.73 MAPT (0.46) ARMAPK1KDM4ELMNAMAPT
SCHEMBL14347708 0.71 GRM2 (0.44) MAPK1KDM4ELMNAMAPTALDH1A1

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