SCHEMBL19723019

SCHEMBL19723019

COC(=O)c1cc(NO)c(Cl)c2c1OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR4 Q13639 3/20 0.36
ABL1 P00519 1/20 0.36
HTR2C P28335 3/20 0.35
HTR3A P46098 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
HTR1D P28221 2/20 0.35
HTR2A P28223 2/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL13603004 0.81 PDK2 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13603003 0.81 KDM4E (0.55) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL13315460 0.78 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13385019 0.76 PDGFRB (0.43) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL14810489 0.75 HTR4 (0.58) KDM4EALDH1A1LMNAPOLBHTR4
SCHEMBL4471489 0.75 KDM4E (0.44) KDM4EALDH1A1LMNAHSD17B10POLB
SCHEMBL6848305 0.73 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL13603005 0.73 FABP3 (0.39) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL15502345 0.72 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL7398883 0.71 KDM4E (0.58) KDM4EALDH1A1LMNAHSD17B10POLB

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
EP-2709989-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS AND FURTHER DISEASES JANSSEN SCIENCES IRELAND UC (IE) 2017-12-20 EP disclosed