SCHEMBL22299604

SCHEMBL22299604

COc1ccccc1/C=N/c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
NFE2L2 Q16236 1/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36

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
SCHEMBL22299215 0.91 SMN1; SMN2 (0.50) MAPTKDM4ERAB9ACYP1A2CYP3A4
SCHEMBL22299942 0.82 SIRT2 (0.48) PTGS2MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL22299855 0.80 PTGS2 (0.45) PTGS2MAPTRAB9ACYP2C19KMT2A
SCHEMBL22299867 0.78 PTGS2 (0.49) PTGS2MAPTKDM4ERAB9ACYP1A2
SCHEMBL22299737 0.77 TDP1 (0.49) PTGS2MAPTKDM4ERAB9AKMT2A
SCHEMBL22299848 0.76 MAOB (0.43) PTGS2MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL22299608 0.75 PTGS2 (0.39) PTGS2MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL22299940 0.75 KIF11 (0.45) PTGS2MAPTCYP2C19KMT2AMEN1
SCHEMBL22299868 0.74 ALDH1A1 (0.47) PTGS2MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL11421485 0.73 MAPT (0.57) PTGS2MAPTKDM4ERAB9ACYP1A2

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-2020156832-A1 DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS BASF SE (DE) 2020-08-06 WO disclosed