SCHEMBL27469797

SCHEMBL27469797

NC(=O)Oc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.61
PARP10 Q53GL7 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 6/20 0.48
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
F2 P00734 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL1850368 0.93 KMT2A (0.54) KIF11PARP10KMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL11673218 0.91 KMT2A (0.52) KIF11PARP10KMT2AMEN1TDP1
Acetic Acid SCHEMBL9949496 0.85 PARP10 (0.47) KIF11PARP10KMT2AMEN1TDP1
SCHEMBL29771394 0.85 GFER (0.51) KIF11KMT2AMEN1TDP1ALDH1A1
SCHEMBL6284986 0.83 KMT2A (0.64) KIF11PARP10KMT2AMEN1TDP1
Butane SCHEMBL19439085 0.83 CYP3A4 (0.47) KIF11PARP10KMT2AMEN1TDP1
SCHEMBL1955422 0.83 KIF11 (0.61) KIF11PARP10KMT2AMEN1TDP1
SCHEMBL7283065 0.83 HSD17B10 (0.50) KIF11PARP10KMT2AMEN1TDP1
SCHEMBL7647138 0.81 KIF11 (0.59) KIF11PARP10KMT2AMEN1ALDH1A1
SCHEMBL31109007 0.81 KIF11 (0.65) KIF11PARP10KMT2AMEN1ALDH1A1

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-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN disclosed