SCHEMBL2372041

SCHEMBL2372041

NC(=O)c1ccnc2cc3c(cc12)OCCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
TSHR P16473 1/20 0.45
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
TP53 P04637 4/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GLA P06280 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PI4K2A Q9BTU6 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL13163277 0.77 LMNA (0.49) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL30283684 0.74 KDM4E (0.49) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL29576662 0.72 EGFR (0.46) TSHRALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL21176839 0.72 EGFR (0.46) TSHRALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL14966643 0.72 MET (0.47) TSHR
SCHEMBL29410952 0.71 KDM4E (0.63) KDM4EALDH1A1CASP1CASP7L3MBTL1
SCHEMBL238581 0.71 MAPK9 (0.43) ALDH1A1HPGDTP53SMN1; SMN2PI4K2A
SCHEMBL22119902 0.71 KDM4E (0.57) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL31214763 0.70 KDM4E (0.61) KDM4EL3MBTL1MAPTLMNAAURKA
SCHEMBL30639545 0.70 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1LMNA

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO claimed