SCHEMBL23401161

SCHEMBL23401161

Cc1ccc(-c2c(-c3ccccc3C)nn(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
DCTPP1 Q9H773 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ESR1 P03372 1/20 0.39
PTGS2 P35354 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 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
SCHEMBL23399883 0.96 CCNA2 (0.44) MAPTTP53POLBDCTPP1ALDH1A1
SCHEMBL23403114 0.96 DCTPP1 (0.41) MAPTTP53POLBDCTPP1ALDH1A1
SCHEMBL23401843 0.91 CA1 (0.44) MAPTTP53POLBDCTPP1ALDH1A1
SCHEMBL23398806 0.89 KMT2A (0.44) MAPTDCTPP1ALDH1A1KDM4ELMNA
SCHEMBL23399481 0.89 RPA1 (0.43) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL23399639 0.88 TP53 (0.42) MAPTTP53POLBDCTPP1ALDH1A1
SCHEMBL23399683 0.85 CCNA2 (0.49) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL23403434 0.85 CCNA2 (0.49) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL23399418 0.85 SRC (0.50) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL23403592 0.84 DCTPP1 (0.45) MAPTTP53POLBDCTPP1ALDH1A1

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