SCHEMBL23399883

SCHEMBL23399883

Cc1ccc(-c2c(-c3ccccc3C)nn(-c3ccccc3)c2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
STAT1 P42224 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
DCTPP1 Q9H773 3/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
FABP4 P15090 1/20 0.37
KDM4A O75164 1/20 0.37

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
SCHEMBL23401161 0.96 MAPT (0.43) CCNA2CDK2MAPTTP53POLB
SCHEMBL23403114 0.95 DCTPP1 (0.41) CCNA2CDK2MAPTTP53POLB
SCHEMBL23398806 0.93 KMT2A (0.44) CCNA2CDK2MAPTNPC1RAB9A
SCHEMBL23399481 0.90 RPA1 (0.43) CCNA2CDK2MAPTTP53POLB
SCHEMBL23401519 0.89 CCNA2 (0.50) CCNA2CDK2MAPTNPC1RAB9A
SCHEMBL23401843 0.87 CA1 (0.44) MAPTTP53POLBALDH1A1STAT1
SCHEMBL23400859 0.87 CCNA2 (0.52) CCNA2CDK2MAPTNPC1RAB9A
SCHEMBL23400965 0.87 CCNA2 (0.52) CCNA2CDK2MAPTNPC1RAB9A
SCHEMBL23399639 0.86 TP53 (0.42) CCNA2CDK2MAPTTP53POLB
SCHEMBL23399683 0.84 CCNA2 (0.49) CCNA2CDK2MAPTTP53NPC1

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