SCHEMBL9348530

SCHEMBL9348530

COc1ccc(COCc2ccccc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DHODH Q02127 1/20 0.46
LTA4H P09960 1/20 0.44
ABCB1 P08183 3/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
BCHE P06276 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
SCHEMBL9348550 0.83 MAOB (0.49) MAOBTSHRTDP1L3MBTL1DHODH
SCHEMBL25662346 0.83 MAOB (0.49) MAOBTSHRTDP1L3MBTL1DHODH
SCHEMBL9349881 0.83 DHODH (0.54) MAOBTSHRTDP1L3MBTL1DHODH
SCHEMBL9292120 0.81 MAOB (0.50) MAOBTSHRTDP1L3MBTL1DHODH
SCHEMBL31731863 0.79 MAOB (0.57) MAOBL3MBTL1ABCB1BCHE
SCHEMBL10856105 0.79 TSHR (0.50) TSHRTDP1L3MBTL1DHODHMAPK1
SCHEMBL28551906 0.79 LTA4H (0.69) MAOBTSHRTDP1L3MBTL1LTA4H
SCHEMBL6429953 0.79 LTA4H (0.69) MAOBTSHRTDP1L3MBTL1LTA4H
SCHEMBL6603605 0.77 APLNR (0.44) MAOBIDO1
SCHEMBL1569302 0.77 TSHR (0.62) MAOBTSHRTDP1L3MBTL1HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed