SCHEMBL671018

SCHEMBL671018

C=C(C)Cc1c(C)cc(Br)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
LMNA P02545 1/20 0.30
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL660261 0.72 MAOB (0.30)
SCHEMBL15821809 0.69 ALDH1A1 (0.38) CYP3A4HTR1DHTR1BHPGD
SCHEMBL670896 0.69 MEN1 (0.44) TSHRTDP1LMNAHPGDHTT
SCHEMBL21777750 0.68 MAPT (0.33)
SCHEMBL7969500 0.68 HTR1D (0.40) CYP3A4TSHRTDP1HTR1DHTR1B
SCHEMBL658037 0.67 PGK1 (0.34)
SCHEMBL9028451 0.67 SELL (0.39) TDP1LMNAHPGDHTTNPSR1
SCHEMBL9029561 0.66 PTGS1 (0.43) HTR1DHTR1BGABRA1GABRB2LMNA
SCHEMBL2967307 0.65 KDM4E (0.42) CYP3A4NPSR1
SCHEMBL12305002 0.65 HTR1D (0.41) HTR1DHTR1BPRNPHPGDNPSR1

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed