SCHEMBL1026336

SCHEMBL1026336

COc1cccc(-c2cc(OC)c(OCc3ccccc3)cc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
C5AR1 P21730 1/20 0.53
ABCB1 P08183 4/20 0.50
HTR1A P08908 3/20 0.50
DRD2 P14416 2/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CHEK1 O14757 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL6361103 0.85 PDGFRB (0.47) HTR1AMAPTGAAADRA1DADRA1A
SCHEMBL2873708 0.81 MAOB (0.62) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL1031014 0.80 PTGES (0.49) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL24728131 0.79 C5AR1 (0.48) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL31757025 0.78 CHRNA7 (0.51) HTR1AHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2006949 0.78 MAOB (0.56) MAOBC5AR1ABCB1HTR1ADRD2
SCHEMBL11223475 0.76 NPC1 (0.51) MAOBABCB1HTR1AMAPTHPGD
SCHEMBL8267913 0.76 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL21070386 0.76 CHRNA7 (0.49) HTR1AMAPTHPGDSMN1; SMN2ADRA1D
SCHEMBL31664070 0.76 CHRNA7 (0.49) HTR1AMAPTHPGDSMN1; SMN2ADRA1D

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-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP claimed
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP disclosed