SCHEMBL8943071

SCHEMBL8943071

COc1cc(OC)nc(CC(O)=S)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE2A O00408 2/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.33
VSIR Q9H7M9 1/20 0.33

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
SCHEMBL1808985 0.82 CYP1A2 (0.42) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL7013448 0.80 ALDH1A1 (0.50) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL5092329 0.78 CYP1A2 (0.48) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL1720666 0.76 CYP1A2 (0.52) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL8686002 0.74 CYP1A2 (0.50) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL8943069 0.74 CYP1A2 (0.46) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL13738921 0.74 CYP1A2 (0.44) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL5025130 0.73 CYP1A2 (0.44) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL23610343 0.72 HTT (0.55) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL12479632 0.72 TNKS2 (0.41) KDM4EALDH1A1CYP1A2LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed