SCHEMBL7125584

SCHEMBL7125584

N#Cc1ccc([AsH]C(=O)c2cc3cccc([AsH]C(=O)Cc4cccc(F)c4)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
GFER P55789 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL7124935 0.85 CNR1 (0.32)
SCHEMBL7133842 0.79 CCR2 (0.33) APEX1
SCHEMBL7128527 0.73 PARP14 (0.38) KDM4E
SCHEMBL6833973 0.71 PARP14 (0.42)
SCHEMBL7127481 0.70 KDM4E (0.47) KDM4ETSHRGFER
SCHEMBL7131750 0.67 POLB (0.42) GFER
SCHEMBL6914669 0.64 MAP2K1 (0.41)
SCHEMBL6830615 0.64 ALB (0.44) GFER
SCHEMBL6835671 0.63 LMNA (0.39)
SCHEMBL7121763 0.63 CCR2 (0.58)

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