SCHEMBL8558929

SCHEMBL8558929

CCn1ncc(C(=O)c2cc(C)c3c(c2C)C2=C(CS3(O)O)SCCS2)c1O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8558921 0.91 RAB9A (0.30) RAB9ASMN1; SMN2LMNA
SCHEMBL8123433 0.75 RAB9A (0.33) RAB9ASMN1; SMN2LMNA
SCHEMBL8132272 0.72 SPR (0.39) RAB9ASMN1; SMN2LMNA
SCHEMBL6728833 0.71 RAB9A (0.35) RAB9ASMN1; SMN2LMNA
SCHEMBL8131372 0.70 RAB9A (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL6721329 0.70 LMNA (0.34) RAB9ASMN1; SMN2LMNA
SCHEMBL8895824 0.69 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNA
SCHEMBL8135089 0.69 RAB9A (0.34) RAB9ASMN1; SMN2LMNA
SCHEMBL8120118 0.69 RAB9A (0.36) RAB9ASMN1; SMN2
SCHEMBL8724298 0.69 SPR (0.47) RAB9ASMN1; 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-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP disclosed