SCHEMBL23400992

SCHEMBL23400992

CCCCn1nc(-c2ccccc2)c(O)c1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H3 Q13133 1/20 0.46
ESR1 P03372 3/20 0.44
TSHR P16473 2/20 0.41
PTGIR P43119 1/20 0.41
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSF1 Q00613 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL23401700 0.92 ESR1 (0.51) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL11873211 0.88 MEN1 (0.58) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23402723 0.87 CA1 (0.48) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23402251 0.85 ESR1 (0.49) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL23399291 0.84 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23398572 0.84 MEN1 (0.52) MEN1KMT2ACYP1A2MAPTCRHBP
SCHEMBL23400324 0.84 NR1H3 (0.40) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL23402546 0.82 MPO (0.41) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL23398809 0.82 NR1H3 (0.39) MEN1KMT2ACYP1A2MAPTNR1H3
SCHEMBL23403222 0.81 MEN1 (0.53) MEN1KMT2ACYP1A2MAPTCRHBP

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