SCHEMBL29953952

SCHEMBL29953952

O=Cc1c(-c2ccc(F)cc2)[nH]c2cc(F)cc(F)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 4/20 0.35
PARP1 P09874 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SERPINE1 P05121 1/20 0.35
MAPK14 Q16539 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL29955797 0.90 KDM4E (0.38) KDM4EMAPTPTGS2PARP1ALDH1A1
SCHEMBL15331672 0.90 PARP1 (0.36) KDM4EMAPTPTGS2PARP1MAPK14
SCHEMBL2559858 0.89 GPR17 (0.35) MAPTPARP1
SCHEMBL2559831 0.88 PTGS2 (0.34) MAPTPTGS2PARP1
SCHEMBL29951490 0.86 PARP1 (0.43) PTGS2PARP1LMNAMAPK14TNKS2
SCHEMBL15331326 0.86 MAPK13 (0.38) KDM4EPTGS2PARP1MAPK14TNKS2
SCHEMBL29957654 0.84 ALDH1A1 (0.39) MAPTALDH1A1LMNAMAPK14TNKS2
SCHEMBL2559317 0.84 PIM1 (0.37) KDM4EMAPTPTGS2PARP1ALDH1A1
SCHEMBL2558139 0.82 KDM4E (0.33) KDM4EMAPTPTGS2PARP1ALDH1A1
SCHEMBL2558538 0.81 PTGS2 (0.36) PTGS2ALDH1A1MAPK14

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