SCHEMBL20113675

SCHEMBL20113675

CCCc1cc(C=O)c(C=O)nc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GRM1 Q13255 1/20 0.34
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20113637 0.84 GRM1 (0.32) GRM1
SCHEMBL20113671 0.81 GLP1R (0.33) ALDH1A1GRM1
SCHEMBL20113649 0.80 MEN1 (0.37) ALDH1A1GRM1LMNA
SCHEMBL9846251 0.79 GRM1 (0.37) ALDH1A1GRM1LMNA
SCHEMBL20113662 0.75
SCHEMBL686307 0.75 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL28423423 0.75 SRC (0.41) ALDH1A1LMNACYP2C19
SCHEMBL20113952 0.74 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20113696 0.71 MEN1 (0.36) ALDH1A1LMNA
SCHEMBL20113756 0.68 CCR1 (0.41) ALDH1A1GRM1

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