SCHEMBL4488101

SCHEMBL4488101

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1c(C)noc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
FTO Q9C0B1 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4494579 0.80 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4504869 0.78 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4485204 0.78 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4485664 0.77 KDM4E (0.40) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4488093 0.76 VDR (0.40) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4559832 0.75 TP53 (0.46) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL4492331 0.75 LMNA (0.42) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4490040 0.73 GFER (0.47) SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL4482567 0.73 PLA2G2A (0.43) KMT2AALDH1A1
SCHEMBL4490747 0.73 PGR (0.43) MEN1KMT2ASMN1; SMN2GAACYP3A4

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed