SCHEMBL6497481

SCHEMBL6497481

COCCCOc1cc[c]c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CGAS Q8N884 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
SCHEMBL15056059 0.91 L3MBTL1 (0.36) MAPK1LMNAHTTALDH1A1L3MBTL1
SCHEMBL3279020 0.84 CYP1A2 (0.41) ALDH1A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL10526679 0.83 THRB (0.41) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25182581 0.82 CSNK2A1 (0.40) HTTALDH1A1L3MBTL1MAPTNPC1
SCHEMBL5728945 0.78 L3MBTL1 (0.37) MAPK1ALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11824469 0.76
SCHEMBL2350414 0.75 CA12 (0.35) MAPK1LMNAHTTALDH1A1MAPT
SCHEMBL8768822 0.71
SCHEMBL16395512 0.70 PDE1A (0.32) HTT
SCHEMBL6506569 0.70 RIPK1 (0.38) HPGD

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed