SCHEMBL5548723

SCHEMBL5548723

Nc1ccc2c(c1)CC(=O)[N]C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TLR9 Q9NR96 1/20 0.38
CA9 Q16790 1/20 0.37
PARP1 P09874 2/20 0.36
BLM P54132 2/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19329523 0.73 CYP1A2 (0.50) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL2490656 0.73 CYP1A2 (0.50) ALDH1A1CASP7TDP2PDK2
SCHEMBL11950500 0.71 MAPT (0.60) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL3779423 0.71 MAPT (0.60) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL585777 0.70 LMNA (0.43) MAPTLMNARAB9AKDM4ENPC1
Ammonia Solution, Strong SCHEMBL28721468 0.69
SCHEMBL2616913 0.68 TDP2 (0.54) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL5022423 0.68 CYP2A6 (0.54) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL12891155 0.67 RAB9A (0.61) MAPTLMNARAB9AKDM4ENPC1
SCHEMBL807459 0.66 MAPT (0.72) MAPTLMNARAB9AKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed