SCHEMBL23399599

SCHEMBL23399599

Cc1ccc(-n2nc(-c3ccccc3)c(O)c2-c2ccccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 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
SCHEMBL23400575 0.96 CCNA2 (0.45) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23400659 0.96 CCNA2 (0.48) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23399120 0.94 MEN1 (0.49) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23399657 0.88 PTGS1 (0.46) CCNA2CDK2KDM4EALDH1A1HPGD
SCHEMBL23401341 0.87 CCNA2 (0.49) CCNA2CDK2MEN1KMT2ALMNA
SCHEMBL23398399 0.87 PTGER1 (0.48) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23401542 0.87 RPA1 (0.50) CDK2MEN1KMT2ACA1CA2
SCHEMBL23402043 0.86 CCNA2 (0.51) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23402086 0.86 CCNA2 (0.48) CCNA2CDK2MEN1KMT2ACA1
SCHEMBL23402037 0.86 CCNA2 (0.48) CCNA2CDK2MEN1KMT2ACA1

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