SCHEMBL4700719

SCHEMBL4700719

CCOC(=O)c1snc2cc(Br)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
DHODH Q02127 1/20 0.44
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL4703130 0.79 RXFP1 (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1MEN1
SCHEMBL492013 0.75 ELANE (0.49) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL31011039 0.73 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL25810203 0.73 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL31053285 0.72 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL3635258 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTNPSR1MAPK1
SCHEMBL1635139 0.72 ELANE (0.49) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL6824033 0.71 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL31483496 0.71 MAPT (0.49) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL16986060 0.71 HPGD (0.47) SMN1; SMN2ALDH1A1MAPTKDM4ERAB9A

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-1963332-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-09-03 EP disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 WO disclosed