SCHEMBL23398572

SCHEMBL23398572

CCCCn1nc(-c2ccc(C)cc2)c(O)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
ESR1 P03372 2/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H3 Q13133 1/20 0.48
PTGIR P43119 1/20 0.45
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSF1 Q00613 1/20 0.42

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
SCHEMBL23399291 1.00 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23401137 0.94 ESR1 (0.46) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL11873211 0.93 MEN1 (0.58) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23401769 0.92 MEN1 (0.50) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399393 0.92 MEN1 (0.50) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23401880 0.88 ESR1 (0.46) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23403166 0.87 MEN1 (0.50) MEN1KMT2ACYP1A2MAPTESR1
SCHEMBL23399116 0.86 CA1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23399569 0.86 CA1 (0.50) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23400206 0.86 ESR1 (0.48) MEN1KMT2ACYP1A2MAPTESR1

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