SCHEMBL12583303

SCHEMBL12583303

CNC(=O)c1n[nH]c2cc(OC)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.60
FLT3 P36888 3/20 0.55
CDK2 P24941 1/20 0.55
PAK1 Q13153 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
NTRK1 P04629 1/20 0.49
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA1 Q13131 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GSK3B P49841 1/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAA2 P54646 2/20 0.47

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
SCHEMBL16516393 0.85 KDM4E (0.63) FLT3CDK2SMN1; SMN2PRKACAPRKACG
SCHEMBL14542625 0.85 YTHDC1 (0.56) YTHDC1FLT3CDK2PAK1SMN1; SMN2
SCHEMBL12582647 0.85 SMN1; SMN2 (0.59) FLT3CDK2SMN1; SMN2PRKACAPRKACG
SCHEMBL176882 0.84 PRKAG1 (0.66) FLT3CDK2SMN1; SMN2PRKAG1PRKAA1
SCHEMBL18554248 0.84 BCHE (0.56) FLT3CDK2SMN1; SMN2PRKACAPRKACG
SCHEMBL13069602 0.82 JAK2 (0.51) FLT3CDK2SMN1; SMN2JAK2JAK1
SCHEMBL4012655 0.80 PRKAG1 (0.48) FLT3CDK2SMN1; SMN2PRKACAPRKACG
SCHEMBL3953836 0.80 FLT3 (0.49) FLT3CDK2SMN1; SMN2PRKACAPRKACG
SCHEMBL12582658 0.80 GSK3B (0.70) CDK2GSK3B
SCHEMBL29871192 0.79 IDO1 (0.64) YTHDC1FLT3CDK2PAK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed