SCHEMBL29950892

SCHEMBL29950892

O=Cc1c(Cl)[nH]c2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NR4A2 P43354 1/20 0.41
CDK5 Q00535 2/20 0.40
DYRK1A Q13627 2/20 0.40
CDK5R1 Q15078 2/20 0.40
TOP1 P11387 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL22898794 0.82 LMNA (0.51) GAAMEN1KMT2A
SCHEMBL29363428 0.82 LMNA (0.51) GAAMEN1KMT2A
SCHEMBL29951828 0.79 PIM1 (0.46) KMT2ACDK5DYRK1AGSK3AGSK3B
SCHEMBL29363427 0.79 KDM4E (0.46) GAAMEN1POLBKMT2AACHE
SCHEMBL24522320 0.79 KDM4E (0.44) GAAMEN1KMT2AACHE
SCHEMBL24522294 0.79 KDM4E (0.46) GAAMEN1POLBKMT2AACHE
SCHEMBL29951087 0.79 GAA (0.54) GAAMEN1POLBCASP6KMT2A
SCHEMBL16920112 0.79 PIM1 (0.46) KMT2ACDK5DYRK1AGSK3AGSK3B
SCHEMBL26323678 0.79 MAPT (0.39) CCNB2CDK1CCNB1CCNB3MEN1
SCHEMBL20138843 0.76 ALDH1A1 (0.56) CCNB2CDK1CCNB1CCNB3GAA

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