SCHEMBL1408440

SCHEMBL1408440

CN(C)CCCCNc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 4/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
NR1H2 P55055 1/20 0.35
FERMT2 Q96AC1 1/20 0.34
NCF1 P14598 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
RAD52 P43351 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 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
SCHEMBL9023734 0.90 POLB (0.43) POLBALDH1A1GLAGAATSHR
SCHEMBL9363417 0.83 PDE3B (0.48) POLBALDH1A1GLAGAATSHR
SCHEMBL9366740 0.82 PDE3B (0.48) POLBALDH1A1GLAGAATSHR
SCHEMBL9362855 0.80 ALDH1A1 (0.60) POLBALDH1A1GLAGAATSHR
SCHEMBL9363550 0.77 POLB (0.49) POLBALDH1A1GLAGAATSHR
SCHEMBL4727878 0.77 SMN1; SMN2 (0.44) POLBSMN1; SMN2NQO2FERMT2NCF1
SCHEMBL25873234 0.77 POLB (0.44) POLBALDH1A1GLAGAATSHR
SCHEMBL1955179 0.76 SMN1; SMN2 (0.63) POLBALDH1A1SMN1; SMN2
SCHEMBL9366724 0.76 ALDH1A1 (0.49) POLBALDH1A1GLAGAATSHR
SCHEMBL15585986 0.76 SMN1; SMN2 (0.46) POLBSMN1; SMN2NQO2FERMT2NCF1

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-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed