SCHEMBL23401342

SCHEMBL23401342

Cc1ccc(-c2nn(C)c(-c3ccccc3)c2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.44
BRCA1 P38398 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL23400590 1.00 TDP1 (0.51) TDP1SMN1; SMN2POLBLMNAL3MBTL1
SCHEMBL23400489 0.93 SMN1; SMN2 (0.40) TDP1SMN1; SMN2POLBLMNAL3MBTL1
SCHEMBL11674731 0.91 MEN1 (0.50) TDP1SMN1; SMN2POLBLMNAMAPT
SCHEMBL23403201 0.86 TGFBR1 (0.42) TDP1SMN1; SMN2POLBLMNAL3MBTL1
SCHEMBL28003111 0.85 CA1 (0.61) SMN1; SMN2POLBL3MBTL1MAPTCA1
SCHEMBL30639609 0.85 KDM4E (0.50) TDP1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL23400259 0.84 KMT2A (0.42) SMN1; SMN2POLBL3MBTL1MAPTCA1
SCHEMBL23399393 0.83 MEN1 (0.50) TDP1SMN1; SMN2POLBMAPTMEN1
SCHEMBL23402086 0.83 CCNA2 (0.48) TDP1SMN1; SMN2LMNAMAPTCA1
SCHEMBL23401685 0.83 MAPT (0.46) TDP1SMN1; SMN2POLBLMNAL3MBTL1

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