SCHEMBL14219684

SCHEMBL14219684

Bc1cc(C(=O)O)c(Nc2ncc(C)cc2C)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
DHODH Q02127 10/20 0.42
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPK1 P28482 1/20 0.37
LCK P06239 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GFER P55789 1/20 0.33
METAP2 P50579 1/20 0.33
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

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
SCHEMBL14219819 0.87 DHODH (0.46) LMNAGAADHODHMEN1KMT2A
SCHEMBL14219683 0.85 LMNA (0.42) LMNAGAADHODHMEN1KMT2A
SCHEMBL14220123 0.83 MEN1 (0.35) LMNAGAADHODHMEN1KMT2A
SCHEMBL14220120 0.82 MAP2K1 (0.36) LMNAGAADHODHMEN1KMT2A
SCHEMBL14219621 0.81 MAP2K1 (0.48) LMNAGAADHODHMEN1KMT2A
SCHEMBL14220178 0.81 MAP2K1 (0.41)
SCHEMBL14222456 0.78 DHODH (0.39) LMNAGAADHODHCLCN2
SCHEMBL14219814 0.76 DHODH (0.43) LMNAGAADHODHMEN1KMT2A
SCHEMBL14220139 0.75 NPC1 (0.38) LMNAGAADHODHMEN1KMT2A
SCHEMBL14220096 0.75 MEN1 (0.40) LMNAGAADHODHMEN1KMT2A

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-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed