SCHEMBL4720828

SCHEMBL4720828

CC(=O)Nc1ccc(C(=O)C(F)(F)F)c(-n2nc(-c3cc(C)cc(-c4cnco4)c3)c3ccccc3c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.38
BRAF P15056 2/20 0.36
PTK2 Q05397 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MCHR1 Q99705 2/20 0.33
P2RY1 P47900 1/20 0.33
TP53 P04637 1/20 0.33
NAMPT P43490 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
RAF1 P04049 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
SCHEMBL4720892 0.88 MAPT (0.36) IMPDH2PTK2MAPTALDH1A1KDM4E
SCHEMBL4719229 0.88 IMPDH2 (0.40) IMPDH2BRAFPTK2MAPTALDH1A1
SCHEMBL4720042 0.85 IMPDH2 (0.39) IMPDH2BRAFPTK2MAPTALDH1A1
SCHEMBL4722489 0.85 IMPDH2 (0.39) IMPDH2BRAFPTK2MAPTALDH1A1
SCHEMBL4723319 0.77 MAPT (0.39) IMPDH2PTK2MAPTALDH1A1MAPK1
SCHEMBL4723141 0.77 MAPT (0.39) IMPDH2PTK2MAPTALDH1A1MAPK1
SCHEMBL4722028 0.76 MAPT (0.39) IMPDH2PTK2MAPTALDH1A1MAPK1
SCHEMBL4719136 0.76 MAPT (0.37) IMPDH2PTK2MAPTALDH1A1RAB9A
SCHEMBL4722289 0.76 IMPDH2 (0.36) IMPDH2BRAFPTK2ALDH1A1TDP1
SCHEMBL4723560 0.75 MAPT (0.39) IMPDH2PTK2MAPTALDH1A1MAPK1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed