SCHEMBL8587717

SCHEMBL8587717

CN(C)CCOc1cc(NC(=O)Nc2cccc3ccccc23)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
NPC1 O15118 4/20 0.51
POLB P06746 3/20 0.51
HRH3 Q9Y5N1 1/20 0.49
HTR1B P28222 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL8590131 0.85 MCHR1 (0.53) KDM4EALDH1A1HRH3SMN1; SMN2RXFP1
SCHEMBL8589733 0.84 HRH3 (0.70) RAB9AMAPTTDP1NPC1HRH3
SCHEMBL8711856 0.84 MEN1 (0.53) RAB9AKMT2AMEN1NPC1HTR1B
SCHEMBL8590672 0.84 KDR (0.45) KMT2AKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL8589516 0.84 MEN1 (0.53) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL8590451 0.83 HRH3 (0.56) RAB9AKDM4EMAPTALDH1A1NPC1
SCHEMBL8589002 0.83 ALDH1A1 (0.50) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8589512 0.83 ALDH1A1 (0.52) RAB9AKMT2AMEN1KDM4EALDH1A1
SCHEMBL8587699 0.82 KDR (0.43) KMT2AKDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL8590190 0.82 KMT2A (0.47) RAB9AKMT2AMEN1KDM4EMAPT

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 1 patent. 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 disclosed