SCHEMBL9765215

SCHEMBL9765215

CN(C)c1ccc(NC(=O)NCCN2CCNC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
CNR1 P21554 4/20 0.49
CCR3 P51677 2/20 0.48
ALDH1A1 P00352 2/20 0.48
FPR3 P25089 2/20 0.48
FPR2 P25090 2/20 0.48
LMNA P02545 2/20 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
SCHEMBL9765199 0.88 HDAC3 (0.48) KDM4ERAB9AHDAC3HDAC4HDAC1
SCHEMBL9765181 0.84 KDM4E (0.72) KDM4EKMT2ARAB9AALDH1A1FPR3
SCHEMBL11710148 0.84 CNR1 (0.62) KDM4EKMT2ARAB9ACNR1ALDH1A1
SCHEMBL9753886 0.84 TSHR (0.66) KDM4EKMT2ARAB9AALDH1A1FPR3
SCHEMBL9765175 0.83 SMN1; SMN2 (0.60) KDM4EKMT2ARAB9ACNR1ALDH1A1
SCHEMBL9765205 0.80 KDM4E (0.47) KDM4EKMT2ARAB9AALDH1A1FPR3
SCHEMBL9167791 0.77 KMT2A (0.60) KDM4EKMT2ARAB9AALDH1A1FPR3
SCHEMBL9765203 0.77 HDAC3 (0.51) KDM4ERAB9AHDAC3HDAC4HDAC1
SCHEMBL13853727 0.75 KMT2A (0.59) KDM4EKMT2ARAB9AALDH1A1FPR3
SCHEMBL10018688 0.74 KDM4E (0.58) KDM4EKMT2ARAB9AALDH1A1FPR3

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