SCHEMBL23399368

SCHEMBL23399368

CCn1nc(-c2ccc(C)cc2)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TNNI3 P19429 1/20 0.39
CRHBP P24387 1/20 0.39
CASP1 P29466 1/20 0.39
TNNT2 P45379 1/20 0.39
CASP7 P55210 1/20 0.39
TNNC1 P63316 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL23399569 0.94 CA1 (0.50) MAPTCA1CA2RAB9AKMT2A
SCHEMBL23399116 0.94 CA1 (0.50) MAPTCA1CA2RAB9AKMT2A
SCHEMBL23400206 0.87 ESR1 (0.48) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL23400633 0.87 L3MBTL1 (0.44) MAPTCA1CA2RAB9AKMT2A
SCHEMBL23401011 0.86 RAB9A (0.41) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL23403537 0.85 MAPT (0.42) MAPTCA1CA2RAB9AKMT2A
SCHEMBL11862067 0.84 CA1 (0.56) MAPTCA1CA2KMT2AMEN1
SCHEMBL23403102 0.84 MAPT (0.49) MAPTKMT2AMEN1KDM4EL3MBTL1
SCHEMBL23401137 0.84 ESR1 (0.46) MAPTRAB9AKMT2AMEN1CRHBP
SCHEMBL23403107 0.83 RAB9A (0.40) MAPTRAB9AKMT2AMEN1KDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed