SCHEMBL7126152

SCHEMBL7126152

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2ccccc21.O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
SRD5A2 P31213 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 1/20 0.41
FLT3 P36888 1/20 0.39
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6711692 0.90 KDM4E (0.51) PDGFRBPDGFRAKDM4EALDH1A1SRD5A2
SCHEMBL6710220 0.89 SRD5A2 (0.42) SRD5A2KDM1AMAOAMAPTNPC1
SCHEMBL6919512 0.85 TDP2 (0.40) PDGFRBPDGFRASRD5A2HDAC1FLT3
SCHEMBL6713083 0.84 FLT3 (0.45) PDGFRBPDGFRAKDM4EALDH1A1SRD5A2
SCHEMBL6710127 0.83 ROCK1 (0.47) NPSR1RXFP1NPC1RAB9AROCK1
SCHEMBL6707732 0.82 ROCK1 (0.41) NPSR1RXFP1NPC1RAB9AROCK1
SCHEMBL6710169 0.82 KDM4E (0.51) PDGFRBPDGFRAKDM4EALDH1A1SRD5A2
SCHEMBL6708956 0.81 LRRK2 (0.38) MAPT
SCHEMBL6709188 0.81 SRD5A2 (0.42) SRD5A2KDM1AMAOARXFP1MAPT
SCHEMBL6709042 0.80 KDM4E (0.48) PDGFRBPDGFRAKDM4EALDH1A1SRD5A2

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed