SCHEMBL7260727

SCHEMBL7260727

N#Cc1ccc(Cc2ncc(CNc3ccccc3-c3ccc(C(=O)N4CCCCC4)o3)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HPGD P15428 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CACNA1B Q00975 2/20 0.36
CACNA1H O95180 1/20 0.36
CDK1 P06493 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ADRA1D P25100 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HAT1 O14929 1/20 0.35
EP300 Q09472 1/20 0.35
FASN P49327 3/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL7259705 0.85 NPC1 (0.41) BRS3RAB9ANPC1HPGDUTS2R
SCHEMBL7260652 0.78 UTS2R (0.39) BRS3RAB9ANPC1UTS2R
SCHEMBL7259726 0.74 MKNK1 (0.40) BRS3CACNA1BCACNA1HCDK1DGAT2
SCHEMBL6602264 0.71 CCNC (0.41) BRS3FASN
SCHEMBL7461594 0.68 BRS3 (0.48) BRS3EP300
Hydrochloric Acid SCHEMBL8004159 0.68 BRS3 (0.48) BRS3EP300
SCHEMBL6983035 0.66 MAPT (0.43)
SCHEMBL6601124 0.66 CCNC (0.39) BRS3DGAT2
SCHEMBL7842828 0.64 BRS3 (0.54) BRS3MMP2MMP13EP300
SCHEMBL8112598 0.64 BRS3 (0.59) BRS3

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-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed