SCHEMBL28822452

SCHEMBL28822452

Fc1cccc(COc2c[c]ccc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
ALKBH1 Q13686 1/20 0.40
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP14 Q460N5 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
EGFR P00533 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
IGF1R P08069 1/20 0.34
MCL1 Q07820 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HPD P32754 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL920290 0.87 MAOB (0.51) MAOBPARP15PARP10PARP14EGFR
SCHEMBL17514826 0.82 MAOB (0.49) MAOBALKBH1PARP15PARP10PARP14
SCHEMBL9706436 0.80 MAOB (0.57) MAOBALKBH1PARP15PARP10PARP14
SCHEMBL28033605 0.77 CACNA1C (0.42) MAOBALKBH1IGF1RSLC6A4
SCHEMBL27630166 0.76 KMT2A (0.47) ALKBH1KDM4ELMNARAB9A
SCHEMBL5227562 0.75 IDO1 (0.49) MAOBALOX5APFEN1KDM4ENPC1
SCHEMBL5227019 0.75 FFAR1 (0.40) MAOB
SCHEMBL9034998 0.75 NPC1 (0.54) PARP15PARP10LMNANPC1RAB9A
SCHEMBL27629880 0.75 SCN9A (0.34) MAOBSLC6A4GRM5NPC1RAB9A
SCHEMBL919794 0.74 MAOB (0.49) MAOBALOX5APKDM4E

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
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN claimed
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN disclosed