SCHEMBL16404153

SCHEMBL16404153

CCOC(=O)C(NC(=O)c1cc(-c2csc(C)n2)cn1C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
BLM P54132 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GFER P55789 1/20 0.37
HPGD P15428 1/20 0.36
NFKB1 P19838 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
SCHEMBL16403926 0.95 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16403985 0.86 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16404075 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16404058 0.83 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14224977 0.83 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16403919 0.83 JAK2 (0.41) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16403913 0.82 KDM4E (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16403932 0.82 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14684766 0.81 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL16404147 0.80 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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