SCHEMBL9765205

SCHEMBL9765205

CN(C)c1ccc(NC(=O)NCCN2CCNC2=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
FPR3 P25089 2/20 0.40
FPR2 P25090 2/20 0.40
CASR P41180 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL9765206 0.84 KDM4E (0.47) KDM4EKMT2ARAB9AALDH1A1RAF1
SCHEMBL9765215 0.80 KDM4E (0.54) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9765217 0.79 KDM4E (0.51) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9765181 0.76 KDM4E (0.72) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL11710148 0.74 CNR1 (0.62) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9753886 0.74 TSHR (0.66) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9765175 0.73 SMN1; SMN2 (0.60) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9167791 0.70 KMT2A (0.60) KDM4EKMT2ARAB9AALDH1A1LMNA
SCHEMBL9765199 0.70 HDAC3 (0.48) KDM4ERAB9AALDH1A1LMNATSHR
SCHEMBL13853727 0.68 KMT2A (0.59) KDM4EKMT2ARAB9AALDH1A1LMNA

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