SCHEMBL8619358

SCHEMBL8619358

CCc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
KDR P35968 5/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
MCHR1 Q99705 1/20 0.44
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
PDGFRB P09619 1/20 0.43
TP53 P04637 1/20 0.43

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 0.88 MCHR1 (0.53) SMN1; SMN2KDRHRH3MCHR1KIT
SCHEMBL8589432 0.86 ALDH1A1 (0.51) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8612301 0.84 THRB (0.52) HRH3TP53RXFP1LMNA
SCHEMBL8617355 0.84 MAPT (0.52) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL8589629 0.81 HRH3 (0.50) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL8589733 0.81 HRH3 (0.70) MAPTRAB9ANPC1KDRHRH3
SCHEMBL8587504 0.80 HRH3 (0.53) HRH3MCHR1
SCHEMBL8587717 0.80 RAB9A (0.53) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL8589516 0.80 MEN1 (0.53) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8617490 0.80 HRH3 (0.49) MAPTKMT2AMEN1RAB9ASMN1; SMN2

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