SCHEMBL8006935

SCHEMBL8006935

NC1(Nc2ccccc2O)N=c2ccccc2=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
CXCR2 P25025 2/20 0.34
MMP9 P14780 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MEN1 O00255 2/20 0.33
METAP2 P50579 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 2/20 0.33
KDM1A O60341 1/20 0.33
CA12 O43570 2/20 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
SCHEMBL11093099 0.65 CTSD (0.34) GAALMNATP53HTTKDM4E
SCHEMBL364068 0.64
SCHEMBL304891 0.62 CXCR2 (0.54) GAANPC1LMNATP53HTT
SCHEMBL11648181 0.62 NPC1 (0.53) GAANPC1LMNATP53HTT
SCHEMBL11374577 0.62 ALOX15 (0.31) ALOX15TSHR
SCHEMBL4406660 0.61
SCHEMBL1920752 0.61 CXCR2 (0.52) GAANPC1LMNATP53HTT
SCHEMBL5792178 0.60 NPC1 (0.43) GAANPC1LMNATP53HTT
SCHEMBL457878 0.59
SCHEMBL297418 0.59

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
US-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed