SCHEMBL4440181

SCHEMBL4440181

COc1ccc(N)c(C(=C(F)C=O)N(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.33
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4429304 0.80 TXNRD1 (0.42)
SCHEMBL2541573 0.73 NNMT (0.36) NNMTPOLBTDP1
SCHEMBL2541569 0.73 NNMT (0.36) NNMTPOLBTDP1
SCHEMBL2541576 0.73 NNMT (0.36) NNMTPOLBTDP1
SCHEMBL14358203 0.70 NNMT (0.54) NNMTPOLBTDP1
SCHEMBL3058519 0.70 TDP1 (0.51) NNMTPOLBTDP1
SCHEMBL4257399 0.68 NPSR1 (0.47) NNMTPOLBTDP1
SCHEMBL31663021 0.68 NPSR1 (0.47) NNMTPOLBTDP1
SCHEMBL30068099 0.68 NNMT (0.39) NNMTPOLBTDP1
SCHEMBL31253850 0.66 NNMT (0.42) NNMTPOLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed