SCHEMBL7868199

SCHEMBL7868199

COc1cc(OC)c(NC(=O)N(S)c2ccccc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 4/20 0.52
HSD17B10 Q99714 1/20 0.48
IGF1R P08069 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7165778 0.88 KMT2A (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6815655 0.88 KDM4E (0.53) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6812148 0.85 KMT2A (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6815576 0.85 KDM4E (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL7939058 0.85 KMT2A (0.52) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6815964 0.85 NPC1 (0.47) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6819145 0.85 KMT2A (0.53) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6814858 0.85 MAPT (0.54) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6815574 0.85 KMT2A (0.55) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL6815152 0.85 KDM4E (0.55) HPGDKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed