SCHEMBL3389419

SCHEMBL3389419

COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)N(OS(C)(=O)=O)c3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TYR P14679 1/20 0.38
NPY2R P49146 1/20 0.37
NAMPT P43490 1/20 0.37
JAK2 O60674 1/20 0.37
NTSR1 P30989 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
EED O75530 1/20 0.36
GFER P55789 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
SCHEMBL3393224 0.92 GBA1 (0.38) ALDH1A1KDM4ECYP2C9CYP2C19HSD17B10
SCHEMBL3393250 0.92 MAPK12 (0.40) ALDH1A1KDM4ECYP2C9CYP2C19KMT2A
SCHEMBL3391110 0.91 GBA1 (0.41) NPY2RDCTPP1
SCHEMBL3392562 0.90 KMT2A (0.36) ALDH1A1KDM4EHSD17B10KMT2AGAA
SCHEMBL3389769 0.90 JAK2 (0.37) ALDH1A1KDM4ECYP2C9CYP2C19HSD17B10
SCHEMBL3394251 0.90 PTK2B (0.39) ALDH1A1KDM4ECYP2C9CYP2C19HSD17B10
SCHEMBL3422290 0.90 MAPK14 (0.37) ALDH1A1KDM4ECYP2C9CYP2C19KMT2A
SCHEMBL3392832 0.89 BRAF (0.35) LMNATP53PTK2BMAPK14
SCHEMBL3390664 0.89 BRAF (0.35) ALDH1A1KDM4ETSHRLMNATP53
SCHEMBL3393248 0.89 MAPT (0.43) ALDH1A1KDM4EKMT2AGAATSHR

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
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed