SCHEMBL16404080

SCHEMBL16404080

Cc1nc(-c2c[nH]c(C(=O)N3CCCC(CO)C3)c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.50
ATP4B P51164 2/20 0.50
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
RHOA P61586 2/20 0.45
AKR1C3 P42330 1/20 0.42
GAA P10253 2/20 0.40
GFER P55789 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 2/20 0.39
GRM3 Q14832 3/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14306191 0.88 ATP4A (0.51) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404112 0.87 ATP4A (0.53) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404143 0.85 ATP4A (0.53) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404141 0.84 ATP4A (0.52) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404065 0.84 ATP4A (0.64) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL14318291 0.84 ATP4A (0.67) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL14318276 0.83 ATP4A (0.69) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL14318363 0.81 ATP4A (0.47) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404152 0.81 ATP4A (0.54) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404111 0.79 ATP4A (0.46) ATP4AATP4BALDH1A1NPC1PKM

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed