SCHEMBL5822864

SCHEMBL5822864

CC(=O)C(N=Nc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
STAT1 P42224 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TRPA1 O75762 1/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ITGB3 P05106 2/20 0.40

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
SCHEMBL5822860 1.00 RAB9A (0.46) RAB9ANPC1MAPTHTTLMNA
SCHEMBL5822866 1.00 RAB9A (0.46) RAB9ANPC1MAPTHTTLMNA
SCHEMBL5823881 0.86 HTT (0.48) RAB9ANPC1MAPTHTTATM
SCHEMBL5823876 0.86 HTT (0.48) RAB9ANPC1MAPTHTTATM
SCHEMBL5823877 0.86 HTT (0.48) RAB9ANPC1MAPTHTTATM
SCHEMBL1014210 0.85 TRPA1 (0.49) RAB9ANPC1MAPTHTTLMNA
SCHEMBL1014211 0.85 TRPA1 (0.49) RAB9ANPC1MAPTHTTLMNA
SCHEMBL368573 0.76 SMN1; SMN2 (0.37) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL14181489 0.76 MAPT (0.48) RAB9ANPC1MAPTHTTLMNA
SCHEMBL3661065 0.75 TRPA1 (0.52) RAB9ANPC1MAPTHTTSTAT1

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
JP-2006057045-A PIGMENT COMPOSITION, METHOD FOR PRODUCING PIGMENT COMPOSITION AND LITHOGRAPHIC PRINTING INK DAINIPPON INK & CHEM INC 2006-03-02 JP disclosed
WO-2006022203-A1 PIGMENT COMPOSITION, PROCESS FOR PRODUCTION THEREOF, AND LITHOGRAPHIC INKS DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-03-02 WO disclosed