SCHEMBL7842828

SCHEMBL7842828

N#Cc1ccc(Cc2ncc(CC(=O)O)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 5/20 0.54
HRH3 Q9Y5N1 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CTBP2 P56545 1/20 0.40
TYMP P19971 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
DAO P14920 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
EP300 Q09472 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
MMP2 P08253 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL8305559 0.88 BRS3 (0.50) BRS3HRH3MMP12MMP13SAE1
Hydrochloric Acid SCHEMBL8368581 0.87 BRS3 (0.52) BRS3HRH3MMP12MMP13SAE1
SCHEMBL7129739 0.83 BRS3 (0.52) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7345076 0.83 BRS3 (0.49) BRS3DAOMMP2
SCHEMBL7839484 0.81 BRS3 (0.50) BRS3HRH3MMP12MMP13SAE1
SCHEMBL8498703 0.80 BRS3 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7505077 0.80 LOXL2 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL10588302 0.80 BRS3 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7468902 0.80 HRH3 (0.48) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7468183 0.80 BRS3 (0.47) BRS3HRH3SAE1UBA2TYMP

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
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 WO disclosed