SCHEMBL6820237

SCHEMBL6820237

OCCNCc1ccnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.36
PDCD1 Q15116 5/20 0.36
KMT2A Q03164 2/20 0.36
VSIR Q9H7M9 4/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM2 P08172 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7981616 0.83 FERMT2 (0.38) CHRM2
SCHEMBL12845332 0.76 CYP1A2 (0.43) CD274PDCD1KMT2ACYP1A2CYP2D6
SCHEMBL2018150 0.76 RECQL (0.35) TRPV3
SCHEMBL17621392 0.76 TRPV3 (0.33) TRPV3
SCHEMBL15577831 0.75
SCHEMBL7653614 0.74 CXCR4 (0.47) CD274PDCD1VSIRPDCD1LG2
SCHEMBL17607299 0.72 POLB (0.41) KMT2AALDH1A1MEN1
SCHEMBL4474314 0.72 VSIR (0.60) VSIR
SCHEMBL23255071 0.71 KCNH3 (0.41) CD274PDCD1VSIRCHRM2ALDH1A1
SCHEMBL3406133 0.71 NUDT1 (0.51) KMT2ACYP2D6ALDH1A1

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-2004074287-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-09-02 WO disclosed