SCHEMBL5789445

SCHEMBL5789445

CCOC(=O)c1cc2c(Oc3cc(CC)ccc3[N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRD5A2 P31213 1/20 0.39
CACNA1C Q13936 2/20 0.38
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL913995 0.91 KDM4E (0.47) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL916437 0.90 KDM4E (0.46) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL915375 0.84 L3MBTL1 (0.43) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL397240 0.81 HRH4 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL916394 0.78 KDM4E (0.39) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL914953 0.76 KDM4E (0.50) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL913978 0.76 KDM4E (0.55) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL699482 0.75 FLT3 (0.60) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL914562 0.75 KDM4E (0.52) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL914726 0.74 KDM4E (0.50) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT

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-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO disclosed