SCHEMBL9044277

SCHEMBL9044277

O=C1Nc2ncccc2C1=Cc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.56
NTRK1 P04629 1/20 0.56
MAPT P10636 3/20 0.51
APP P05067 2/20 0.51
SNCA P37840 2/20 0.51
CTRC Q99895 1/20 0.50
FLT3 P36888 3/20 0.45
CHEK1 O14757 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
PLK4 O00444 1/20 0.43
PLK1 P53350 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GSK3B P49841 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
PIM1 P11309 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL8324445 0.80 RAF1 (0.47) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8319684 0.79 CHEK1 (0.50) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8321242 0.78 MAPT (0.65) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8322866 0.77 NPC1 (0.66) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8331764 0.76 RAF1 (0.52) RAF1NTRK1MAPTAPPSNCA
SCHEMBL9045821 0.75 RAF1 (0.51) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8319627 0.74 NTRK1 (0.62) RAF1NTRK1MAPTAPPSNCA
SCHEMBL8319989 0.74 NTRK1 (0.47) RAF1NTRK1MAPTAPPSNCA
SCHEMBL5790646 0.73 NTRK1 (0.67) RAF1NTRK1MAPTAPPSNCA
SCHEMBL12537519 0.73 NTRK1 (0.67) RAF1NTRK1MAPTAPPSNCA

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-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 EP claimed