SCHEMBL25877289

SCHEMBL25877289

CCCOc1ccc(N=Nc2ccc(N=Nc3ccc(N)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 1/20 0.53
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP2C9 P11712 1/20 0.50
CHRNA7 P36544 1/20 0.47
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
LTA4H P09960 1/20 0.46
HTT P42858 2/20 0.45

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
SCHEMBL11113478 0.93 TDP1 (0.54) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL15662976 0.93 TDP1 (0.54) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL28964336 0.90 CYP2C9 (0.58) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL28964335 0.90 CYP2C9 (0.58) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL111168 0.88 TDP1 (0.67) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL13797751 0.88 NR5A1 (0.54) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL15663000 0.88 NR5A1 (0.54) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL15663001 0.88 NR5A1 (0.54) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL5888664 0.85 TDP1 (0.76) MEN1KMT2ATDP1TSHRRAB9A
SCHEMBL5888659 0.85 TDP1 (0.76) MEN1KMT2ATDP1TSHRRAB9A

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-2023127629-A1 CIRCULARLY POLARIZING PLATE 住友化学株式会社 2023-07-06 WO disclosed