SCHEMBL23786455

SCHEMBL23786455

Cc1ccc(C2=C3C(=O)NC(c4ccc(Sc5ccccc5)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HKDC1 Q2TB90 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MCL1 Q07820 2/20 0.35
PIM1 P11309 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL14378084 0.94 PTGS2 (0.42) PTGS2MAOAMAOBMEN1KMT2A
SCHEMBL12509935 0.92 PTGS2 (0.50) PTGS2MAOAMAOBMAPTGSK3B
SCHEMBL13222110 0.88 PTGS2 (0.64) PTGS2MAOAMAOBGSK3BALDH1A1
SCHEMBL9833136 0.87 PTGS2 (0.47) PTGS2MAOAMAOBMEN1KMT2A
SCHEMBL14614509 0.84 PTGS2 (0.44) PTGS2MAOAMAOBMAPTGSK3B
SCHEMBL815442 0.83 PTGS2 (0.50) PTGS2MAOAMAOBMEN1KMT2A
SCHEMBL13222334 0.82 PTGS2 (0.56) PTGS2MEN1KMT2AMAPTGSK3B
SCHEMBL21610876 0.82 PTGS2 (0.38) PTGS2MAOAMAOBMEN1KMT2A
SCHEMBL14378082 0.78 MAOA (0.44) PTGS2MAOAMAOBHKDC1MAPT
SCHEMBL12509934 0.76 PTGS2 (0.45) PTGS2MAOAMAOBMEN1KMT2A

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
EP-3922681-A1 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-12-15 EP disclosed
US-20210277251-A1 RED PIGMENT COMPOSITION FOR COLOR FILTER BASF SE (DE) 2021-09-09 US disclosed