SCHEMBL8617355

SCHEMBL8617355

CSc1cccc(NC(=O)Nc2ccc(I)c(OCCN(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MCHR1 Q99705 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL8617490 0.90 HRH3 (0.49) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL8590131 0.87 MCHR1 (0.53) SMN1; SMN2MCHR1ALDH1A1KDM4EHRH3
SCHEMBL8589432 0.85 ALDH1A1 (0.51) MAPTMEN1KMT2APOLBTP53
SCHEMBL8619358 0.84 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL8612301 0.81 THRB (0.52) TP53LMNAALDH1A1KDM4EHRH3
SCHEMBL8589629 0.80 HRH3 (0.50) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL8589733 0.80 HRH3 (0.70) MAPTMCHR1HRH3NPC1RAB9A
SCHEMBL8587504 0.80 HRH3 (0.53) MCHR1CA12CA1CA2CA9
SCHEMBL8589516 0.79 MEN1 (0.53) MAPTMEN1KMT2AMAPK1CYP1A2
SCHEMBL8587717 0.79 RAB9A (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB

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