SCHEMBL9765203

SCHEMBL9765203

CN(C)c1ccc(NC(=O)NCCN2CCNC2S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
CNR1 P21554 4/20 0.50
CCR3 P51677 3/20 0.49
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 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
SCHEMBL9765215 0.77 KDM4E (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9765199 0.75 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14423985 0.72 MAPT (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14424449 0.69 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16363832 0.68 NOX1 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29663991 0.68 RAB9A (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22834246 0.67 CNR1 (1.00) CNR1KDM4ENPC1RAB9ASMN1; SMN2
Chlorobenzene SCHEMBL27703490 0.67 CNR1 (0.48) CNR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL28800706 0.66 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10222860 0.65 EPHX1 (0.72) EPHX1ALDH1A1NPC1RAB9AGAA

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