SCHEMBL7993983

SCHEMBL7993983

COc1ccccc1Oc1c(OCC2CCCO2)nc(NCCN2CCOCC2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PTK2 Q05397 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
RAB9A P51151 1/20 0.41
CSF1R P07333 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HIF1A Q16665 2/20 0.40
LMNA P02545 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.39
EDNRB P24530 1/20 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
SCHEMBL7993990 0.91 RAB9A (0.44) PIK3CAMTORPTK2RAB9AHSD17B10
SCHEMBL7979090 0.87 ALDH1A1 (0.42) PTK2RAB9AKDM4EHIF1AEDNRB
SCHEMBL7979093 0.79 ALDH1A1 (0.47) PTK2EDNRBEDNRAMAPTALDH1A1
SCHEMBL7997001 0.78 EDNRA (0.51) EDNRBEDNRAIRAK4
SCHEMBL7979128 0.77 MAPT (0.41) KDM4ELMNAEDNRBEDNRAMAPT
SCHEMBL7997022 0.77 MAPT (0.41) PTK2EDNRBEDNRAMAPTIRAK4
SCHEMBL7996803 0.76 EDNRA (0.48) EDNRBEDNRAMAPTIRAK4POLB
SCHEMBL7991613 0.75 GPR84 (0.40) EDNRBEDNRAMAPTIRAK4ALDH1A1
SCHEMBL7997147 0.75 GPR84 (0.40) MAPTIRAK4MEN1KMT2APOLB
SCHEMBL7979428 0.75 PLK1 (0.42) KDM4EEDNRBEDNRAMAPTIRAK4

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-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed