SCHEMBL23399212

SCHEMBL23399212

Cc1ccc(-c2nn(CC(C)C)c(O)c2C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 2/20 0.36
FYN P06241 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CACNA1B Q00975 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL23402137 0.87 CNR2 (0.37) KDM4EMAPK1FYNKMT2AMEN1
SCHEMBL23401020 0.84 RIPK2 (0.39) KDM4ERAB9AKMT2AMEN1ATM
SCHEMBL23400432 0.84 TP53 (0.39) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23403146 0.82 RAB9A (0.39) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23398461 0.82 ESR1 (0.44) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23402121 0.81 RAB9A (0.38) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23399350 0.81 KDM4E (0.36) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23403349 0.80 RAB9A (0.37) KDM4ETP53CYP1A2CYP3A4MAPK1
SCHEMBL23402234 0.80 ESR1 (0.42) KDM4ERAB9AFYNKMT2AMEN1
SCHEMBL23399213 0.80 ESR1 (0.43) KDM4ETP53CYP1A2CYP3A4MAPK1

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