SCHEMBL5040080

SCHEMBL5040080

Cc1ccc2[nH]c(=O)c(-c3c(Cl)ccc(NC(=O)c4cccc(C(F)(F)F)c4)c3Cl)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRAF P15056 2/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42

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
SCHEMBL14011408 0.85 CSF1R (0.47) MEN1KMT2AALDH1A1RXFP1LMNA
SCHEMBL5033066 0.79 KCNQ3 (0.44) GAAALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5046875 0.76 ALDH1A1 (0.48) GAAMEN1RAB9AKMT2AKCNK3
SCHEMBL928609 0.73 PTGS1 (0.51) GAAKCNK3ALDH1A1LMNACYP1A2
SCHEMBL14011350 0.72 SYK (0.46) GAAALDH1A1LMNACYP1A2CYP3A4
SCHEMBL928435 0.71 CSF1R (0.48) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL14011504 0.71 CSF1R (0.44) GAAALDH1A1LMNACYP1A2CYP3A4
SCHEMBL12908049 0.71 CSF1R (0.47) MEN1KMT2AALDH1A1BRAFKCNQ3
SCHEMBL5033059 0.71 SYK (0.51) BRAFDDR2
SCHEMBL928444 0.70 CSF1R (0.47) GAAKCNK3ALDH1A1RXFP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO disclosed