SCHEMBL23402995

SCHEMBL23402995

Cc1ccc(-n2nc(-c3ccccc3)c(C)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CNR1 P21554 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
STAT1 P42224 1/20 0.41
PTGER1 P34995 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL23400133 0.94 CDK2 (0.50) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23402267 0.92 MEN1 (0.55) MEN1KMT2ACCNA2CDK2ALDH1A1
SCHEMBL23401031 0.92 MAPT (0.44) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23398623 0.87 MEN1 (0.48) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23402921 0.86 L3MBTL1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL23403434 0.86 CCNA2 (0.49) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23399683 0.86 CCNA2 (0.49) MEN1KMT2ACCNA2CDK2LMNA
SCHEMBL23399404 0.83 ALDH1A1 (0.52) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL23400054 0.83 CA1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL23400965 0.83 CCNA2 (0.52) MEN1KMT2ACCNA2CDK2ALDH1A1

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