SCHEMBL16094232

SCHEMBL16094232

NC(=O)c1ccncc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
SIRT3 Q9NTG7 2/20 0.50
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
MEN1 O00255 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL4816775 0.85 SIRT3 (0.55) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL17294252 0.83 KDM4C (0.53) TDP1KDM4EALDH1A1KDM4CMEN1
SCHEMBL16344094 0.81 KDM4C (0.40) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL17294374 0.81 KDM4C (0.39) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL16094860 0.81 TDP1 (0.55) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL1687197 0.80 TDP1 (0.67) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL1330970 0.80 TDP1 (0.67) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL30298673 0.75 TDP1 (0.55) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL2618803 0.75 TDP1 (0.55) TDP1SIRT3KDM4EALDH1A1KDM4C
SCHEMBL11870062 0.75 KDM4C (0.62) TDP1SIRT3KDM4EALDH1A1KDM4C

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
EP-2970216-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2016-01-20 EP disclosed
WO-2014151616-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-25 WO disclosed