SCHEMBL8305559

SCHEMBL8305559

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.50
HRH3 Q9Y5N1 1/20 0.43
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
TYMP P19971 2/20 0.39
DAO P14920 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TDP2 O95551 1/20 0.37
CTBP2 P56545 1/20 0.37
IDO1 P14902 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPK8 P45983 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL7842828 0.88 BRS3 (0.54) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7505077 0.82 LOXL2 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7129739 0.82 BRS3 (0.52) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7843395 0.81 HRH3 (0.47) BRS3HRH3TYMPDAOIDO1
Hydrochloric Acid SCHEMBL8368581 0.81 BRS3 (0.52) BRS3HRH3SAE1UBA2MMP12
SCHEMBL8498703 0.79 BRS3 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL10588302 0.79 BRS3 (0.49) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7468902 0.79 HRH3 (0.48) BRS3HRH3SAE1UBA2TYMP
SCHEMBL7468183 0.79 BRS3 (0.47) BRS3HRH3SAE1UBA2TYMP
SCHEMBL8121737 0.78 BRS3 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904076-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-03-31 EP disclosed
EP-0891339-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036585-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036881-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed