SCHEMBL6504166

SCHEMBL6504166

Nc1ccc(C2=CCNC(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6506502 0.85 POLB (0.35) POLBNOS1NOS2MEN1KMT2A
SCHEMBL7560334 0.84 POLB (0.39) POLBMEN1KMT2A
SCHEMBL5543765 0.79 POLB (0.39) POLBTDP1NOS1NOS2MEN1
SCHEMBL7844747 0.78 CDK9 (0.35) POLB
SCHEMBL6683579 0.77 POLB (0.37) POLBMEN1KMT2A
SCHEMBL5164934 0.76 HTR2A (0.34) POLB
SCHEMBL5265951 0.74 POLB (0.44) POLBMEN1KMT2A
SCHEMBL6961333 0.74 POLB (0.39) POLBMEN1KMT2A
SCHEMBL8368017 0.72 SLC6A3 (0.37) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7562364 0.70 CYP11B1 (0.35) POLBALDH1A1LMNAMAPTTDP1

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