SCHEMBL5305530

SCHEMBL5305530

COc1ccc(C2OCCO2)c2c1N(Cc1ccc(Cl)nc1)C(=O)CC2.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL98018 0.99 NPC1 (0.37) NPC1POLBRAB9AALDH1A1KMT2A
SCHEMBL5305529 0.97 NPC1 (0.36) NPC1POLBRAB9AALDH1A1KMT2A
SCHEMBL5301145 0.89 CYP11B1 (0.35) NPC1POLBRAB9AALDH1A1KMT2A
SCHEMBL97263 0.83 CYP11B1 (0.38) NPC1POLBALDH1A1KMT2APDE4D
SCHEMBL97993 0.82 HCRTR1 (0.34) POLBALDH1A1MAPTPDE4DHCRTR1
SCHEMBL97439 0.65 POLB (0.42) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL98120 0.65 CYP11B1 (0.40) NPC1ALDH1A1KMT2A
SCHEMBL5297293 0.64 BRD4 (0.47) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL97451 0.63 BRD4 (0.35) POLBPDE4DHCRTR1HCRTR2
SCHEMBL97250 0.63 BRD4 (0.48) POLBALDH1A1KMT2AMEN1MAPT

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-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
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