SCHEMBL4463201

SCHEMBL4463201

O=C1c2ccccc2CC1(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
CES1 P23141 2/20 0.43
BCHE P06276 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.42
S100A4 P26447 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39

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
SCHEMBL7760631 0.80 MEN1 (0.47) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL4336942 0.79 SIGMAR1 (0.53) NPSR1L3MBTL1ALDH1A1CES1MAOA
SCHEMBL9171286 0.79 NPSR1 (0.47) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL9164056 0.79 NPSR1 (0.47) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL9488212 0.76 L3MBTL1 (0.49) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL31599138 0.74 SIGMAR1 (0.51) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL11500029 0.74 SIGMAR1 (0.51) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL4459204 0.74 NPSR1 (0.50) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL29661169 0.74 NPSR1 (0.50) NPSR1L3MBTL1LMNAHTTALDH1A1
SCHEMBL3994729 0.74 L3MBTL1 (0.50) NPSR1L3MBTL1LMNAHTTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
US-6433228-B1 REACTING AN ANILINE COMPOUND WITH AROMATIC DIAZONIUM COMPOUND, THEN ACRYLIC COMPOUND; CYCLIZATION BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-1007498-B1 PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES BAYER AG (DE) 2002-02-06 EP disclosed
EP-1007498-A1 PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES Bayer Aktiengesellschaft (DE) 2000-06-14 EP disclosed
WO-1999010306-A1 PROCESS FOR PREPARING 2-HALOGENATED INDAN-1-ONES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-04 WO disclosed