SCHEMBL8997784

SCHEMBL8997784

COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.69
CHRNA7 P36544 8/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL8997846 0.89 RORC (0.69) RORCCHRNA7MEN1KMT2ACA1
SCHEMBL8997799 0.89 MEN1 (0.63) RORCCHRNA7MEN1KMT2AMAPT
SCHEMBL8997871 0.88 RORC (0.69) RORCCHRNA7MEN1KMT2ACA1
SCHEMBL12727781 0.86 RORC (0.55) RORCCHRNA7MEN1KMT2AMAPT
SCHEMBL13658283 0.86 MEN1 (0.63) RORCCHRNA7MEN1KMT2AMAPT
SCHEMBL13227847 0.85 KMT2A (0.78) MEN1KMT2AKDM4EHPGDRXFP1
SCHEMBL29230118 0.83 RORC (0.64) RORCCHRNA7MEN1KMT2ACA1
SCHEMBL1735203 0.82 HDAC1 (0.61) RORCMEN1KMT2AKDM4EHPGD
SCHEMBL13299340 0.82 MEN1 (0.58) RORCCHRNA7MEN1KMT2AMAPT
SCHEMBL5436969 0.82 CA1 (0.81) MEN1KMT2AKDM4EHPGDRXFP1

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