SCHEMBL29953545

SCHEMBL29953545

Cc1cc(C)c2c(C=O)c(-c3cccc(F)c3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ERN1 O75460 1/20 0.37
DHODH Q02127 1/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL29952426 0.88 LMNA (0.40) LMNAKDM4EMAPTERN1MAPK14
SCHEMBL15332851 0.88 ERN1 (0.38) TNKS2KDM4EMAPTERN1DHODH
SCHEMBL29955999 0.85 TNKS2 (0.40) TNKS2KDM4EALDH1A1MAPTERN1
SCHEMBL2556672 0.85 MGAM (0.39) MGAMGAASIMGAM2ERN1
SCHEMBL15331877 0.83 ERN1 (0.38) TNKS2KDM4EMAPTERN1DHODH
SCHEMBL2554515 0.82 ERN1 (0.39) TNKS2KDM4EMAPTERN1DHODH
SCHEMBL29956203 0.81 ERN1 (0.42) HPGDKDM4EMAPTERN1
SCHEMBL29953250 0.81 MMP2 (0.46) ALDH1A1MAPTGAADRD2HTR2A
SCHEMBL29957654 0.80 ALDH1A1 (0.39) TNKS2LMNAHPGDALDH1A1MAPT
SCHEMBL15330961 0.80 ERN1 (0.37) TNKS2HPGDKDM4EALDH1A1MAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed