SCHEMBL8298570

SCHEMBL8298570

CN(C)C(=O)CSc1ccc(Br)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
NOTUM Q6P988 2/20 0.39
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL6241138 0.80 CYP1A2 (0.43) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL8298121 0.76 ALDH1A1 (0.33) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6498534 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDHTT
SCHEMBL8298125 0.72 AOC3 (0.33) THRB
SCHEMBL8298790 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDL3MBTL1
SCHEMBL24869558 0.69 HTT (0.41) ALDH1A1HSD17B10KDM4EHPGDHTT
SCHEMBL6241142 0.66
SCHEMBL6242687 0.66 CCR2 (0.33) CCR2
SCHEMBL17712199 0.64 POLB (0.47) ALDH1A1HSD17B10KDM4EHPGDHTT
SCHEMBL29509457 0.64 POLB (0.47) ALDH1A1HSD17B10KDM4EHPGDHTT

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed