SCHEMBL28008182

SCHEMBL28008182

NCc1[c]ccc(OCC(CO)CO)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
VDR P11473 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9934821 0.87 APP (0.37) APPTSHRMAPK1VDR
SCHEMBL28008558 0.86 TSHR (0.48) TSHRMAPK1VDRKMT2ASMN1; SMN2
SCHEMBL27913748 0.81 MGLL (0.32)
SCHEMBL9934640 0.78 APP (0.40) APPTSHRMAPK1VDRKMT2A
SCHEMBL9934322 0.73 TSHR (0.50) TSHRMAPK1VDRKMT2ASMN1; SMN2
SCHEMBL28008146 0.73 TDP1 (0.35) MAPK1
SCHEMBL28008161 0.73 TDP1 (0.35) MAPK1
SCHEMBL28008213 0.73 TDP1 (0.35) MAPK1
SCHEMBL28051634 0.72 FYN (0.32)
SCHEMBL27999329 0.72 MAPT (0.39) TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
CN-103517898-B Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO.,LTD. (JP) 2015-09-30 CN disclosed
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed