SCHEMBL23643419

SCHEMBL23643419

Cc1cc(Nc2nc(Cl)nc(Cl)n2)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.53
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ G6PD P11413 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ TXN P10599 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ APP P05067 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL11537458 0.86 CYP1A2 (0.45) NFKB1MEN1KMT2AGAAG6PD
SCHEMBL11537650 0.82 CYP1A2 (0.45) NFKB1MEN1KMT2AGAAMAPT
SCHEMBL23643511 0.81 NFKB1 (0.52) NFKB1MEN1KMT2AMAPTMAPK1
SCHEMBL14268288 0.81 NFKB1 (0.57) NFKB1MEN1KMT2AMAPTMAPK1
SCHEMBL9123851 0.81 KMT2A (0.43) MEN1KMT2AGAAG6PDL3MBTL1
SCHEMBL17018621 0.79 NFKB1 (0.68) NFKB1MEN1KMT2AMAPTMAPK1
SCHEMBL8973147 0.78 NFKB1 (0.62) NFKB1MEN1KMT2AGAAL3MBTL1
SCHEMBL23643398 0.78 GAA (0.47) MEN1KMT2AGAAG6PDL3MBTL1
SCHEMBL10870243 0.77 NFKB1 (0.45) NFKB1MEN1KMT2AGAAMAPT
SCHEMBL28432146 0.75 MEN1 (0.44) NFKB1MEN1KMT2AGAAG6PD

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-2021141984-A1 SUBSTITUTED TRIAZINE COMPOUNDS AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2021-07-15 — — WO disclosed
Send feedback