SCHEMBL6004835

SCHEMBL6004835

O=C(O)c1c(C2CC2)[nH]c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
PIM1 P11309 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PIM3 Q86V86 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL6904417 0.81 IDO1 (0.38) HCAR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6341275 0.80 HCAR2 (0.35) HCAR2PIM1GSK3AGSK3BPIM3
SCHEMBL16098745 0.76 TOP2A (0.50) HCAR2
SCHEMBL11021076 0.72 PIM1 (0.32) PIM1GSK3AGSK3BPIM3CSNK1G1
SCHEMBL6904311 0.72 KMT2A (0.39) ALDH1A1
SCHEMBL9540894 0.70 HCAR2 (0.34) POLBHCAR2
SCHEMBL7557799 0.70 ALDH1A1 (0.51) PIM1GSK3AGSK3BPIM3ALDH1A1
SCHEMBL4237180 0.68 PADI4 (0.36) HCAR2GSK3AGSK3B
SCHEMBL6898646 0.66 ALDH1A1 (0.44) POLBPIM1GSK3AGSK3BPIM3
SCHEMBL27389576 0.66 CA1 (0.45) POLBALDH1A1

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-1723150-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES Cumbre Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005070941-A1 RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES CUMBRE PHARMACEUTICALS INC. (US) 2005-08-04 WO disclosed