SCHEMBL6818149

SCHEMBL6818149

CC(=O)Nc1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2C#N)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.36
EGLN2 Q96KS0 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALB P02768 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6814235 0.93 EGLN2 (0.37) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6822410 0.92 EGLN2 (0.38) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6818290 0.92 EGLN2 (0.37) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6822517 0.91 EGLN2 (0.39) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6818824 0.90 HIF1A (0.37) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6819197 0.89 TP53 (0.37) POLBTP53MAPTALBALDH1A1
SCHEMBL6818959 0.88 HSP90AB1 (0.35) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6818523 0.88 ALDH1A1 (0.43) LRRK2POLBTP53MAPTALB
SCHEMBL6818086 0.88 EGLN2 (0.35) LRRK2EGLN2POLBTP53MAPT
SCHEMBL6819374 0.88 EGLN2 (0.34) LRRK2EGLN2POLBTP53MAPT

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed