SCHEMBL10729628

SCHEMBL10729628

COc1nc(N)nc(OCC(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL15868697 0.90 MEN1 (0.49) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL15868231 0.85 MEN1 (0.46) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL15870556 0.83 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL28867958 0.79 MEN1 (0.57) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL10362552 0.79 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL31079497 0.77 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL7452356 0.77 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL1576395 0.77 TSHR (0.44) MEN1KMT2ALMNATSHRMAPT
SCHEMBL10617774 0.76 PDE4B (0.42) MEN1KMT2ACYP1A2LMNAL3MBTL1
SCHEMBL7798194 0.75 HSD17B10 (0.36) LMNATSHRMAPTKDM4EHSD17B10

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-4704159-A PRE- AND POSTERMERGENCE IN CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-03 US disclosed
US-4609398-A PRE- AND POSTEMERGENT CONTROL OF WEEDS IN CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 US disclosed
EP-0165653-A1 Herbicidal fluoroethoxy pyrimidines and triazines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 EP disclosed