SCHEMBL28008558

SCHEMBL28008558

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FGFR1 P11362 1/20 0.38
AR P10275 1/20 0.38
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
ALDH2 P05091 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9934322 0.88 TSHR (0.50) TSHRMAPK1KMT2ASMN1; SMN2FGFR1
SCHEMBL28008182 0.86 APP (0.35) TSHRMAPK1KMT2ASMN1; SMN2VDR
SCHEMBL27913748 0.80 MGLL (0.32)
SCHEMBL5458142 0.78 TSHR (0.50) TSHRMAPK1KMT2ASMN1; SMN2FGFR1
SCHEMBL5106296 0.78 MAPK1 (0.50) TSHRMAPK1KMT2ASMN1; SMN2FGFR1
SCHEMBL5097237 0.78 TSHR (0.54) TSHRMAPK1KMT2ASMN1; SMN2FGFR1
SCHEMBL5459138 0.75 MAPK1 (0.47) TSHRMAPK1KMT2AFGFR1AR
SCHEMBL28008146 0.75 TDP1 (0.35) MAPK1PDE3BPDE3AP2RY12LMNA
SCHEMBL28008161 0.75 TDP1 (0.35) MAPK1PDE3BPDE3AP2RY12LMNA
SCHEMBL28008213 0.75 TDP1 (0.35) MAPK1PDE3BPDE3AP2RY12LMNA

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