SCHEMBL14219683

SCHEMBL14219683

Cc1cnc(Nc2c(C(=O)O)cc(Cl)c(F)c2F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
DHODH Q02127 9/20 0.42
CLCN2 P51788 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
SORT1 Q99523 1/20 0.36
LCK P06239 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL14219570 0.90 DHODH (0.48) LMNAGAADHODHCLCN2MEN1
SCHEMBL14219689 0.88 DHODH (0.39) LMNAGAADHODHCLCN2SORT1
SCHEMBL14222457 0.88 DHODH (0.41) LMNAGAADHODHCLCN2MEN1
SCHEMBL14219676 0.88 MAP2K1 (0.40) LMNAGAADHODHCLCN2SORT1
SCHEMBL14222456 0.88 DHODH (0.39) LMNAGAADHODHCLCN2SORT1
SCHEMBL14219819 0.87 DHODH (0.46) LMNAGAADHODHMEN1KMT2A
SCHEMBL14219684 0.85 LMNA (0.42) LMNAGAADHODHCLCN2MEN1
SCHEMBL14219656 0.82 PTGS2 (0.41) LMNAGAADHODHMEN1KMT2A
SCHEMBL14219621 0.81 MAP2K1 (0.48) LMNAGAADHODHMEN1KMT2A
SCHEMBL14223199 0.81 DHODH (0.51) DHODHCLCN2MEN1KMT2ASORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed