SCHEMBL482171

SCHEMBL482171

CCCCNc1ccc(OC)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MGLL Q99685 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL14059353 0.85 GAA (0.50) ABL1HDAC3HDAC2ALDH1A1GAA
SCHEMBL13996560 0.83 ALDH1A1 (0.41) ALDH1A1GAAMAPK1HSD17B10MAPT
SCHEMBL20565356 0.82 MEN1 (0.45) ABL1HDAC3HDAC2MGLLMAPT
SCHEMBL22537442 0.82 ALDH1A1 (0.43) ALDH1A1GAAMAPK1HSD17B10APAF1
SCHEMBL15934308 0.81 TUBB4A (0.55) HDAC3HDAC2
SCHEMBL28103035 0.80 HTT (0.52) ABL1HDAC3HDAC2ALDH1A1GAA
SCHEMBL24074629 0.79 ALDH1A1 (0.48) ABL1HDAC3HDAC2HDAC1ALDH1A1
SCHEMBL8519906 0.79 ALDH1A1 (0.45) ABL1HDAC3HDAC2HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL10440705 0.77 HTT (0.54) ABL1HDAC3HDAC2ALDH1A1GAA
SCHEMBL15934214 0.76 TUBB4A (0.54) ABL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448920-B Antiviral compounds and uses thereof ABBVIE (US) 2016-04-06 CN disclosed
CN-102746239-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2012-10-24 CN disclosed
CN-102746240-A Anti-infective pyrimidines and uses thereof ABBOTT LAB 2012-10-24 CN disclosed
CN-102448920-A Antiviral compounds and uses thereof ABBOTT LAB 2012-05-09 CN disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
CN-101918369-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-12-15 CN disclosed
CN-101842360-A Anti-infective pyrimidines and uses thereof ABBOTT LAB 2010-09-22 CN disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed