SCHEMBL8589002

SCHEMBL8589002

CN(C)CCOc1cc(NC(=O)Cc2cccc3ccccc23)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.49
HTR1B P28222 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 1/20 0.45
NR1I2 O75469 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL8590972 0.86 UTS2R (0.44) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL8591092 0.84 KDR (0.39) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL8711856 0.84 MEN1 (0.53) KMT2AMEN1HTR1BHDAC1
SCHEMBL8587717 0.83 RAB9A (0.53) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL8588968 0.82 MCHR1 (0.41) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8590131 0.77 MCHR1 (0.53) ALDH1A1KDM4E
SCHEMBL8590571 0.77 NLRP3 (0.46) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL8709150 0.77 KDR (0.47) KMT2AMEN1POLBHTR1B
SCHEMBL6541884 0.77 MCHR1 (0.48) ALDH1A1LMNAKMT2AKDM4EMAPT
SCHEMBL8592685 0.74 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AKDM4EMAPT

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
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO claimed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed