SCHEMBL5604308

SCHEMBL5604308

Cc1ccc(N)cc1-c1cc(N(C)C(=O)O)on1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.34
UCHL1 P09936 3/20 0.34
USP30 Q70CQ3 3/20 0.34
PLA2G7 Q13093 1/20 0.33
RAF1 P04049 2/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL5593028 0.78 GAA (0.48) BRAFPLA2G7RAF1RAB9ASMN1; SMN2
SCHEMBL5604301 0.74 POLB (0.45) SMN1; SMN2MAPTHPGDCYP1A2CYP2C19
SCHEMBL3921413 0.71 PLA2G7 (0.37) PLA2G7RAF1CYP3A4CASP1TSHR
SCHEMBL4204404 0.70 HCAR2 (0.50) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL18147661 0.69 CASP1 (0.44) SMN1; SMN2MAPTHPGDMEN1NPC1
SCHEMBL3606930 0.68 CYP2A6 (0.49) BRAFUCHL1USP30RAB9ASMN1; SMN2
SCHEMBL1018391 0.66 PDE10A (0.44) MAPTHPGDMEN1NPC1CYP1A2
SCHEMBL30092397 0.63 PLA2G7 (0.65) PLA2G7RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL31607621 0.63 PLA2G7 (0.65) PLA2G7RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL8848693 0.63 PLA2G7 (0.65) PLA2G7RAB9ASMN1; SMN2MAPTHPGD

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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed