SCHEMBL9765175

SCHEMBL9765175

COc1ccc(NC(=O)NCCN2CCNC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 3/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGDS O60760 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
FPR2 P25090 3/20 0.49
CASR P41180 1/20 0.49

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
SCHEMBL11710148 0.84 CNR1 (0.62) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL9765181 0.84 KDM4E (0.72) RAB9APOLBALDH1A1LMNAKDM4E
SCHEMBL9753886 0.84 TSHR (0.66) RAB9APOLBALDH1A1LMNAKDM4E
SCHEMBL9765215 0.83 KDM4E (0.54) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL9765206 0.80 KDM4E (0.47) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL4476091 0.78 HDAC1 (0.52) HPGDS
SCHEMBL9167791 0.77 KMT2A (0.60) RAB9AALDH1A1LMNAKDM4EHPGDS
SCHEMBL13853727 0.75 KMT2A (0.59) RAB9AALDH1A1LMNAKDM4EHPGDS
SCHEMBL10018688 0.74 KDM4E (0.58) RAB9AALDH1A1LMNAKDM4EHPGDS
SCHEMBL9765205 0.73 KDM4E (0.47) RAB9APOLBALDH1A1LMNAKDM4E

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