SCHEMBL27665802

SCHEMBL27665802

Nc1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
NPC1 O15118 7/20 0.73
MAPT P10636 7/20 0.73
HPGD P15428 3/20 0.73
HTT P42858 2/20 0.73
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
GAA P10253 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
HPGDS O60760 1/20 0.55

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
SCHEMBL1994898 0.85 MAPT (1.00) RAB9ANPC1MAPTHPGDHTT
SCHEMBL1993946 0.85 NPC1 (1.00) RAB9ANPC1MAPTHPGDHTT
SCHEMBL1997356 0.85 RAB9A (0.73) RAB9ANPC1MAPTHPGDHTT
SCHEMBL1993758 0.85 RAB9A (0.73) RAB9ANPC1MAPTHPGDHTT
SCHEMBL1993042 0.84 RAB9A (1.00) RAB9ANPC1MAPTHPGDHTT
SCHEMBL1994550 0.80 PTGDR2 (0.78) RAB9ANPC1MAPTHTTSMN1; SMN2
SCHEMBL7729542 0.79 HPGDS (0.79) RAB9ANPC1MAPTHPGDHTT
SCHEMBL28761479 0.78 MAPT (0.67) RAB9ANPC1MAPTHPGDHTT
SCHEMBL5194327 0.77 ALDH1A1 (0.63) MAPTHPGDMEN1KMT2AGAA
SCHEMBL1990486 0.73 RAB9A (0.62) RAB9ANPC1MAPTHPGDHTT

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
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed
CN-1980664-A CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS (DK) 2007-06-13 CN disclosed