SCHEMBL23399153

SCHEMBL23399153

Cc1ccccc1-c1c(O)c(-c2ccccc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 2/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 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
SCHEMBL23401685 0.91 MAPT (0.46) CA1CA2MEN1MAPTKMT2A
SCHEMBL23399120 0.84 MEN1 (0.49) CA1CA2MEN1MAPTKMT2A
SCHEMBL23401700 0.83 ESR1 (0.51) CA1CA2MEN1MAPTKMT2A
SCHEMBL11674731 0.83 MEN1 (0.50) CA1CA2MEN1MAPTKMT2A
SCHEMBL23403651 0.82 ALDH1A1 (0.45) CA1CA2MEN1MAPTKMT2A
SCHEMBL23400851 0.82 SRC (0.40) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL23398502 0.82 PDE1A (0.43) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL23402723 0.82 CA1 (0.48) CA1CA2MEN1MAPTKMT2A
SCHEMBL23402885 0.81 TDP2 (0.39) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL23401342 0.79 TDP1 (0.51) CA1CA2MEN1MAPTKMT2A

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