SCHEMBL28790963

SCHEMBL28790963

Oc1ccc(Br)cc1-c1coc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MC4R P32245 2/20 0.40
HPGD P15428 6/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GFER P55789 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
AGPAT2 O15120 1/20 0.37
KMT2A Q03164 7/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MCL1 Q07820 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 6/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27809535 0.79 MAPT (0.39) MAPTHPGDHTTNPSR1GFER
SCHEMBL27809528 0.76 NMT1 (0.42) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL27809628 0.74 TDP1 (0.46) MAPTHPGDHTTKMT2ASMN1; SMN2
SCHEMBL12608050 0.73 CHUK (0.46) MAPTMC4RHPGDHTTNPSR1
SCHEMBL27829946 0.69 MAPT (0.53) MAPTHPGDHTTNPSR1GFER
SCHEMBL14422265 0.68 HDAC1 (0.43) MAPTGAAKMT2ALMNASMN1; SMN2
SCHEMBL12605590 0.67 PTGDR2 (0.40) KMT2A
SCHEMBL5213833 0.65 KDM4E (0.43) KMT2ALMNAMEN1KDM4E
SCHEMBL12606721 0.65 HTT (0.51) MAPTHPGDHTTNPSR1MGAM
SCHEMBL6269206 0.64 MAPT (0.61) MAPTHPGDHTTNPSR1MGAM

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
CN-1980664-B CRTH2 receptor ligands for therapeutic use 7TM PHARMA AS 2011-02-23 CN disclosed