SCHEMBL8997846

SCHEMBL8997846

COc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.69
JAK2 O60674 2/20 0.61
CSNK2A1 P68400 1/20 0.60
CHRNA7 P36544 4/20 0.60
CHEK1 O14757 2/20 0.59
NTRK2 Q16620 1/20 0.59
PDE4B Q07343 1/20 0.57
PDE4D Q08499 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL29230118 0.94 RORC (0.64) RORCJAK2CSNK2A1CHRNA7CHEK1
SCHEMBL8997784 0.89 RORC (0.69) RORCCHRNA7CA1CA2MEN1
SCHEMBL8997871 0.88 RORC (0.69) RORCCHRNA7CA1CA2MEN1
SCHEMBL8997799 0.83 MEN1 (0.63) RORCCHRNA7MEN1KMT2AL3MBTL1
SCHEMBL4009454 0.82 CHRNA7 (0.53) RORCCHRNA7MEN1GAAKMT2A
SCHEMBL1735277 0.82 CSNK2A1 (0.68) RORCJAK2CSNK2A1CHEK1NTRK2
SCHEMBL5442673 0.82 CA1 (0.77) CSNK2A1CHEK1NTRK2CA1CA2
SCHEMBL12727781 0.81 RORC (0.55) RORCCHRNA7MEN1GAAKMT2A
SCHEMBL13658283 0.81 MEN1 (0.63) RORCCHRNA7MEN1KMT2AL3MBTL1
SCHEMBL1023029 0.80 NPC1 (0.71) PDE4BPDE4DMEN1GAAKMT2A

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
US-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed
US-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed