SCHEMBL20113696

SCHEMBL20113696

CCCCc1cc(CO)c(C=O)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL20113649 0.91 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL20113995 0.80 FGFR4 (0.35) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL20113637 0.72 GRM1 (0.32) NOS2
SCHEMBL20113675 0.71 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL20113671 0.70 GLP1R (0.33) HPGDALDH1A1
SCHEMBL20113653 0.68 CCR1 (0.38) MEN1KMT2AHPGDALDH1A1TYR
SCHEMBL27947021 0.67 TLR8 (0.61) KMT2AHPGDALDH1A1TLR8MAPT
SCHEMBL20113643 0.66 KDM4E (0.37) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL4167074 0.66 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL20113662 0.65

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-3060563-B1 RING-FUSED BICYCLIC PYRIDYL DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-05-02 EP disclosed