SCHEMBL9765206

SCHEMBL9765206

COc1ccc(NC(=O)NCCN2CCNC2=O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 2/20 0.43
QPCT Q16769 2/20 0.43
HPGDS O60760 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAP4K1 Q92918 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A3 Q01959 1/20 0.41
SCN9A Q15858 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
CXCR4 P61073 1/20 0.41

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
SCHEMBL9765205 0.84 KDM4E (0.47) KDM4ERAB9AKMT2ALMNAALDH1A1
SCHEMBL9765175 0.80 SMN1; SMN2 (0.60) KDM4ERAB9AKMT2AHPGDSMAPT
SCHEMBL9765217 0.79 KDM4E (0.51) KDM4ERAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL9765181 0.76 KDM4E (0.72) KDM4ERAB9AKMT2AMAPTTP53
SCHEMBL11710148 0.74 CNR1 (0.62) KDM4ERAB9AKMT2AMAPTTP53
SCHEMBL9753886 0.74 TSHR (0.66) KDM4ERAB9AKMT2AMAPTLMNA
SCHEMBL9765215 0.73 KDM4E (0.54) KDM4ERAB9AKMT2ATP53SMN1; SMN2
SCHEMBL9167791 0.73 KMT2A (0.60) KDM4ERAB9AKMT2AHPGDSLMNA
SCHEMBL16946690 0.70 S1PR1 (0.56) RAB9AKMT2AS1PR1MAPTTP53
SCHEMBL1781567 0.69 CYP2C9 (0.55) KDM4ERAB9AKMT2AS1PR1MAPT

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