SCHEMBL7151978

SCHEMBL7151978

O=C(Cc1ccccc1)Nc1ccc(N2CCCCC2=O)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.61
KCNQ2 O43526 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 2/20 0.49
F10 P00742 5/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NR4A1 P22736 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL7148309 0.82 MAPT (0.68) CDK2KMT2AGAAMEN1F10
SCHEMBL7153529 0.81 NPC1 (0.69) CDK2KMT2AGAAMEN1F10
SCHEMBL7157515 0.80 NPC1 (0.54) CDK2KCNQ2KMT2AGAAPKM
SCHEMBL7152061 0.80 NPC1 (0.53) CDK2KCNQ2KMT2AGAAPKM
SCHEMBL7154056 0.78 ALDH1A1 (0.66) CDK2KMT2APKMMEN1ALDH1A1
SCHEMBL7149795 0.77 USP2 (0.57) CDK2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6244643 0.75 F10 (0.60) KMT2AMEN1F10MAPTNPC1
SCHEMBL7150787 0.74 RAB9A (0.54) CDK2KCNQ2KMT2AGAAPKM
SCHEMBL7157379 0.74 NPY2R (0.60) CDK2KCNQ2KMT2AGAAPKM
SCHEMBL7153206 0.73 RAB9A (0.53) CDK2KCNQ2KMT2AGAAPKM

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-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed