SCHEMBL8895824

SCHEMBL8895824

CCn1ncc(C(=O)c2cc(C)c3c(c2C)CCCCS3)c1O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 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
SCHEMBL6721329 0.97 LMNA (0.34) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8123433 0.82 RAB9A (0.33) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8892726 0.79 ALDH1A1 (0.35) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8871769 0.77 KDM4E (0.31) SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL8871773 0.77 KDM4E (0.31) SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL8940911 0.77 RAB9A (0.31) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8871398 0.77
SCHEMBL8871394 0.77
SCHEMBL6728833 0.77 RAB9A (0.35) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2
SCHEMBL8941039 0.76 PDE4B (0.32) SMN1; SMN2RAB9ALMNAALDH1A1CYP1A2

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
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO claimed
WO-1997008164-A1 BICYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-03-06 WO disclosed