SCHEMBL28943992

SCHEMBL28943992

CCCCCONCc1ccccc1.Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
PTGES O14684 1/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
KDM4E B2RXH2 4/20 0.43
PKM P14618 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.41
SCD O00767 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL27727700 0.92 SRC (0.47) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27707040 0.90 NPC1 (0.46) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27727703 0.90 NPC1 (0.48) KMT2APDE5APDE1APDE1BPDE1C
SCHEMBL27727902 0.88 NPC1 (0.46) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27727655 0.87 ALOX5 (0.50) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27727763 0.87 RAB9A (0.57) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27706888 0.86 KDM4E (0.56) KMT2APDE5APDE1APDE1BPDE1C
SCHEMBL27727782 0.86 KDM4E (0.47) KMT2APDE5APDE1APDE1BPDE1C
SCHEMBL27727826 0.84 PDE5A (0.45) KMT2ARXFP1PDE5APDE1APDE1B
SCHEMBL27707015 0.84 PDE5A (0.47) KMT2ARXFP1PDE5APDE1APDE1B

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-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN claimed
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN disclosed