SCHEMBL7684133

SCHEMBL7684133

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8460276 0.84 POLB (0.32) SMN1; SMN2RAB9ALMNA
SCHEMBL8460273 0.84 POLB (0.32) SMN1; SMN2RAB9ALMNA
SCHEMBL6983233 0.84 LMNA (0.35) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL8616405 0.83 POLB (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8615782 0.83 POLB (0.34) SMN1; SMN2RAB9ALMNA
SCHEMBL8132272 0.83 SPR (0.39) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8120569 0.82 SMN1; SMN2 (0.34) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL6723758 0.82 LMNA (0.36) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL8130139 0.82 CXCR2 (0.32) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL8545954 0.81 POLB (0.31)

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
US-6413913-B1 CONTROLLING WEEDS IN CEREAL CROPS BASF CORPORATION 2002-07-02 US disclosed