SCHEMBL18359552

SCHEMBL18359552

O=NP(=O)(N=O)Oc1cc(-c2coc3ccccc23)nc2cc3c(cc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.34
MAPT P10636 8/20 0.33
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 6/20 0.33
NPC1 O15118 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 1/20 0.33
HPGD P15428 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 3/20 0.32
DHODH Q02127 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL338689 0.89 HPGD (0.36) PDGFRBMAPTALDH1A1KDM4ENPC1
SCHEMBL340641 0.82 EDNRA (0.35) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL10267983 0.81 ALDH1A1 (0.36) PDGFRBMAPTALDH1A1KDM4ENPC1
SCHEMBL10200331 0.76 MAPT (0.35) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL339698 0.74 MEN1 (0.42) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL339931 0.74 MEN1 (0.41) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL2795234 0.72 NPC1 (0.40) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL2798406 0.70 NPC1 (0.40) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL10200098 0.67 ALDH1A1 (0.37) MAPTALDH1A1KDM4ENPC1MEN1
SCHEMBL10262788 0.66 ALDH1A1 (0.38) MAPTALDH1A1KDM4ENPC1MEN1

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-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed