SCHEMBL3368482

SCHEMBL3368482

O=C(O)C1CN=C(c2cc(Br)ccc2O)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ALOX15 P16050 2/20 0.37
CES2 O00748 1/20 0.37
GALR3 O60755 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRK6 P43250 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 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
SCHEMBL3367918 0.91 HPGD (0.35) HPGDPKMIDO1CSNK2A1ALOX15
SCHEMBL3369371 0.82 TYR (0.37) HPGDCSNK2A1CES2MAOBMAPT
SCHEMBL3372129 0.79 HTR2B (0.46) HPGDPKMTP53MAPTTSHR
SCHEMBL3370061 0.76 PKM (0.33) HPGDPKMMAOAMAOBKDM4E
SCHEMBL10066500 0.70
SCHEMBL2114806 0.66 HCAR2 (0.35) PKMMAPT
SCHEMBL2114802 0.66 HCAR2 (0.35) PKMMAPT
SCHEMBL8743338 0.66 ALOX15 (0.62) HPGDIDO1CSNK2A1ALOX15CES2
SCHEMBL27991140 0.66 ALOX15 (0.62) HPGDIDO1CSNK2A1ALOX15CES2
SCHEMBL18144907 0.65 EDNRB (0.44) HPGDPKMALOX15CYP1A2CYP2C9

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed