SCHEMBL8762402

SCHEMBL8762402

CC(C)C(CC(N)=O)C(O)C(F)(F)C(=O)NCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.40
NAMPT P43490 3/20 0.40
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL8761334 0.89 SMN1; SMN2 (0.40) MAPK1LMNAMAPTALDH1A1CYP3A4
SCHEMBL8762413 0.78 MAPK1 (0.45) MAPK1LMNAMAPTALDH1A1CYP3A4
SCHEMBL8625810 0.77 POLB (0.44) MAPTALDH1A1CYP3A4RAB9APOLB
SCHEMBL8762407 0.76 L3MBTL1 (0.49) MAPK1LMNAALDH1A1RAB9AHTT
SCHEMBL8627352 0.75 EPHX1 (0.34)
SCHEMBL8763079 0.74 ECE1 (0.30)
SCHEMBL3614049 0.70 NAMPT (0.56) MAPK1LMNAMAPTALDH1A1CYP3A4
SCHEMBL2141942 0.70 ALDH1A1 (0.52) MAPK1LMNAMAPTALDH1A1CYP3A4
SCHEMBL28170723 0.69 RAB9A (0.56) MAPK1LMNAMAPTALDH1A1CYP3A4
SCHEMBL1709279 0.68 RAB9A (0.63) MAPK1LMNAMAPTALDH1A1CYP3A4

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-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed