SCHEMBL23401341

SCHEMBL23401341

COc1ccc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
RPA1 P27694 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL23399657 0.93 PTGS1 (0.46) CCNA2CDK2PTGS1PTGS2RPA1
SCHEMBL23399120 0.90 MEN1 (0.49) CCNA2CDK2PTGS1PTGS2MAPT
SCHEMBL23399599 0.87 CCNA2 (0.47) CCNA2CDK2PTGS1PTGS2HPGD
SCHEMBL23400566 0.87 RPA1 (0.50) CCNA2CDK2PTGS1PTGS2RPA1
SCHEMBL23403375 0.85 NPC1 (0.47) RPA1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL23398801 0.84 ALDH1A1 (0.48) CCNA2CDK2PTGS1PTGS2RPA1
SCHEMBL23398791 0.84 ALDH1A1 (0.48) CCNA2CDK2PTGS1PTGS2RPA1
SCHEMBL23400575 0.83 CCNA2 (0.45) CCNA2CDK2PTGS2HPGDMAPT
SCHEMBL23400659 0.83 CCNA2 (0.48) CCNA2CDK2PTGS2HPGDMAPT
SCHEMBL23398421 0.82 L3MBTL1 (0.54) CCNA2CDK2PTGS1PTGS2RPA1

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