SCHEMBL8997871

SCHEMBL8997871

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

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.69
CHRNA7 P36544 5/20 0.58
PARP10 Q53GL7 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDR P35968 1/20 0.56
MAP4K4 O95819 1/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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 0.95 RORC (0.64) RORCCHRNA7PARP10CA1CA2
SCHEMBL8997846 0.88 RORC (0.69) RORCCHRNA7CA1CA2MEN1
SCHEMBL8997784 0.88 RORC (0.69) RORCCHRNA7CA1CA2MEN1
SCHEMBL29230115 0.84 RORC (0.54) RORCCHRNA7MEN1KMT2AMAPT
SCHEMBL10975772 0.83 HDAC3 (0.60) RORCPARP10CA1CA2PARP1
SCHEMBL5464893 0.82 CA1 (0.78) PARP10CA1CA2PARP1PARP2
SCHEMBL8997799 0.82 MEN1 (0.63) RORCCHRNA7MEN1KMT2AL3MBTL1
SCHEMBL12727781 0.80 RORC (0.55) RORCCHRNA7MEN1KMT2AGAA
SCHEMBL13658283 0.80 MEN1 (0.63) RORCCHRNA7MEN1KMT2AL3MBTL1
SCHEMBL4009454 0.79 CHRNA7 (0.53) RORCCHRNA7MEN1KMT2AGAA

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