SCHEMBL6831124

SCHEMBL6831124

O=Cc1ccc(C(=O)Sc2ccc(Br)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.51
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL6830047 0.84 MAPT (0.41) TERTMAOBMAOAMAPTSMN1; SMN2
SCHEMBL6828953 0.84 TERT (0.51) TERTMAOBMAOAMAPTPOLB
SCHEMBL6826142 0.84 TERT (0.51) TERTMAPTNPC1RAB9AMGAM
SCHEMBL6828648 0.80 TERT (0.54) TERTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6826233 0.77 TERT (0.54) TERTMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL6829200 0.77 TERT (0.54) TERTPOLBMGAMGAASI
SCHEMBL6829436 0.76 TERT (0.52) TERTMAPTPOLBMGAMGAA
SCHEMBL6829246 0.73 KMT2A (0.51) MAPTSMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL6829215 0.73 TERT (0.58) TERTMAOBMAOAMAPTPOLB
SCHEMBL6829660 0.73 TERT (0.58) TERTMAPTSMN1; SMN2NPC1POLB

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-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed