SCHEMBL23402001

SCHEMBL23402001

Cc1ccc(-n2nc(C(C)(C)C)c(O)c2-c2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 2/20 0.38
MAPK14 Q16539 2/20 0.37
PTGS2 P35354 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
RIPK2 O43353 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL23398406 0.93 ATM (0.47) ATMDCTPP1MEN1KMT2AHIF1A
SCHEMBL23399587 0.87 HPGD (0.42) ATMMEN1KMT2AHIF1AMAPK14
SCHEMBL23398460 0.87 RIPK2 (0.50) ATMMEN1KMT2AMAPK14MAPK13
SCHEMBL23400673 0.86 HIF1A (0.46) DCTPP1MEN1KMT2AHIF1AALDH1A1
SCHEMBL23400833 0.83 PTGS2 (0.46) ATMMEN1KMT2AMAPK14PTGS2
SCHEMBL23398885 0.83 PTGS2 (0.52) ATMMAPK14PTGS2MAPK13MAPK12
SCHEMBL23401800 0.83 MAPK14 (0.38) ATMKMT2AMAPK14MAPK13MAPK12
SCHEMBL23402094 0.81 PTGS2 (0.43) ATMMEN1KMT2AHIF1AMAPK14
SCHEMBL23402419 0.81 DCTPP1 (0.39) DCTPP1MEN1KMT2AHIF1AMAPK14
SCHEMBL23400575 0.80 CCNA2 (0.45) DCTPP1MEN1KMT2AHIF1APTGS2

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