SCHEMBL22061374

SCHEMBL22061374

COc1c(Br)cc(C)c2c1NC1(CCCCC1)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TTR P02766 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
CDC7 O00311 3/20 0.32
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
ROCK1 Q13464 3/20 0.32
DBF4 Q9UBU7 3/20 0.32
PDE7A Q13946 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL22060752 0.99 MAPT (0.39) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL22061372 0.86 PDE7A (0.38) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL22061375 0.85 PDE7A (0.36) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL22061373 0.82 TTR (0.35) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL22060751 0.75 TTR (0.34) MAPTALDH1A1TTRINSRIGF1R
SCHEMBL3296747 0.72 ALDH1A1 (0.42) ALDH1A1HSD17B10TTRINSRIGF1R
SCHEMBL22061418 0.67 CDC7 (0.36) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL22060785 0.63 MKNK1 (0.37)
SCHEMBL18786743 0.62 PDE7A (0.53) PDE7A
SCHEMBL11725186 0.62 ALDH1A1 (0.40) MAPTNPSR1KDM4EALDH1A1HPGD

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-2020108619-A1 MNK INHIBITOR 上海迪诺医药科技有限公司 2020-06-04 WO disclosed