SCHEMBL4465214

SCHEMBL4465214

COc1cc(NC(=O)Cn2cnc3cccc(C(=O)O)c32)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
RUVBL1 Q9Y265 1/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
DHODH Q02127 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDR P35968 1/20 0.41
GAA P10253 1/20 0.41
NTRK1 P04629 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
DDT P30046 1/20 0.40

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
SCHEMBL4974004 0.93 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4RUVBL1
SCHEMBL3042696 0.93 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4RUVBL1
SCHEMBL4976395 0.91 RXFP1 (0.46) RXFP1RAF1BRAFTMPRSS4RUVBL1
SCHEMBL4453735 0.91 POLB (0.47) POLBMAPTKDM4ELMNA
SCHEMBL4975964 0.88 RXFP1 (0.48) RXFP1RAF1BRAFTMPRSS4POLB
SCHEMBL3034826 0.86 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4POLB
SCHEMBL4977861 0.86 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4POLB
SCHEMBL4974192 0.86 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4POLB
SCHEMBL4462916 0.86 RXFP1 (0.47) RXFP1RAF1BRAFTMPRSS4POLB
SCHEMBL4975749 0.86 RXFP1 (0.46) RXFP1RAF1BRAFTMPRSS4POLB

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
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed