SCHEMBL6983233

SCHEMBL6983233

CCn1ncc(C(=O)c2ccc3c(c2C)S(=O)(=O)CCS3(=O)=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6723758 0.84 LMNA (0.36) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7684133 0.84 SMN1; SMN2 (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8427367 0.83 RAB9A (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8121496 0.82 SMN1; SMN2 (0.32) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL6981439 0.81 GAA (0.31) GAA
SCHEMBL8120654 0.81 RAB9A (0.34) LMNASMN1; SMN2RAB9A
SCHEMBL8303808 0.79 RAB9A (0.31) LMNASMN1; SMN2RAB9A
SCHEMBL8134206 0.79 RAB9A (0.33) LMNASMN1; SMN2RAB9A
SCHEMBL8132414 0.79 SMN1; SMN2 (0.33) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8307021 0.79 PDE4B (0.32) LMNASMN1; SMN2RAB9A

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-1080089-B1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AG (DE) 2003-11-05 EP disclosed
US-6326333-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed