SCHEMBL9765217

SCHEMBL9765217

O=C(NCCN1CCNC1=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
CCR3 P51677 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GOT1 P17174 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDH1 O75874 1/20 0.48
EPHX2 P34913 1/20 0.48
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL9753886 0.82 TSHR (0.66) KDM4EKMT2AMEN1MAPTRAB9A
SCHEMBL30041940 0.80 EPHX2 (0.67) CCR3KMT2AMEN1MAPTHTT
SCHEMBL9765205 0.79 KDM4E (0.47) KDM4EKMT2ARAB9ALMNAALDH1A1
SCHEMBL9765206 0.79 KDM4E (0.47) KDM4EKMT2AMAPTRAB9ALMNA
SCHEMBL9765181 0.78 KDM4E (0.72) KDM4EKMT2AMAPTRAB9ALMNA
SCHEMBL30042757 0.77 CCR3 (0.64) CCR3KMT2AMEN1LMNAEPHX2
SCHEMBL14685427 0.76 MAPT (0.66) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL11710148 0.76 CNR1 (0.62) KDM4EKMT2AMAPTRAB9ALMNA
SCHEMBL11192668 0.75 MAPT (0.49) KDM4ECCR3KMT2AMEN1MAPT
SCHEMBL13737287 0.75 MAPT (0.64) KDM4EKMT2AMEN1MAPTHTT

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
US-5001141-A N-(2-(2-oxo-1-imidazolidinyl)ethyl)-3-phenyl-urea and analogs as agents for induction of antioxidant enzymes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-19 US claimed
US-5001141-A N-(2-(2-oxo-1-imidazolidinyl)ethyl)-3-phenyl-urea and analogs as agents for induction of antioxidant enzymes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-19 US disclosed