SCHEMBL7839484

SCHEMBL7839484

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.50
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MMP13 P45452 4/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
TYMP P19971 1/20 0.41
HTT P42858 1/20 0.40
CTBP2 P56545 1/20 0.39
PIN1 Q13526 1/20 0.39
ALKBH1 Q13686 1/20 0.39
MMP12 P39900 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7818412 0.86 CA1 (0.44) BRS3SAE1UBA2HRH3TYMP
SCHEMBL25911828 0.81 MMP13 (0.55) BRS3MMP13MMP1MMP2MMP9
SCHEMBL7842828 0.81 BRS3 (0.54) BRS3SAE1UBA2HRH3MMP13
Hydrochloric Acid SCHEMBL8368581 0.79 BRS3 (0.52) BRS3SAE1UBA2HRH3MMP13
SCHEMBL1507946 0.77 HRH3 (0.47) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL8305559 0.77 BRS3 (0.50) BRS3SAE1UBA2HRH3MMP13
SCHEMBL7129739 0.77 BRS3 (0.52) BRS3SAE1UBA2HRH3TYMP
SCHEMBL6688212 0.77 TYMP (0.45) BRS3SAE1UBA2HRH3TYMP
SCHEMBL7843395 0.75 HRH3 (0.47) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL7468183 0.74 BRS3 (0.47) BRS3SAE1UBA2HRH3TYMP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed