SCHEMBL6506502

SCHEMBL6506502

Nc1cc(F)c(C2=CCNC(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6504166 0.85 POLB (0.34) POLBNOS1NOS2MEN1KMT2A
SCHEMBL6683579 0.79 POLB (0.37) POLBMEN1KMT2A
SCHEMBL7560334 0.79 POLB (0.39) POLBMEN1KMT2A
SCHEMBL5543765 0.79 POLB (0.39) POLBNOS1NOS2MEN1KMT2A
SCHEMBL5265951 0.76 POLB (0.44) POLBMEN1KMT2A
SCHEMBL6961333 0.76 POLB (0.39) POLBMEN1KMT2A
SCHEMBL7884094 0.73 ABCB1 (0.39) POLB
SCHEMBL5164934 0.72 HTR2A (0.34) POLB
SCHEMBL7844747 0.72 CDK9 (0.35) POLB
SCHEMBL7466114 0.72 SLC22A1 (0.36) POLB

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-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed