SCHEMBL11525503

SCHEMBL11525503

CCOC(=O)NC(=S)Nc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
Thiophanate SCHEMBL29398343 0.90 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10LMNAALOX15
Thiophanate SCHEMBL20842 0.90 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10LMNAALOX15
Thiophanate SCHEMBL7449541 0.88 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL11835690 0.87 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL11835703 0.85 MAPT (0.47) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL11741162 0.85 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL23727265 0.85 EPHX1 (0.65) ALDH1A1HPGDHSD17B10LMNAALOX15
Thiophanate SCHEMBL10922494 0.85 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL11694452 0.85 ALDH1A1 (0.79) ALDH1A1HPGDHSD17B10LMNAALOX15
SCHEMBL12336304 0.85 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US claimed
US-4133892-A FUNGICIDES, MITICIDES NORDDEUTSCHE AFFINERIE 1979-01-09 US disclosed
US-4044045-A Combating pests with di-(2-thioureido-(N-alkoxycarbonyl)-N-phenylureido)-compounds NORDDEUTSCHE AFFINERIE (DT) 1977-08-23 US disclosed
US-4001297-A FUNGICIDES, MITICIDES NIPPON SODA COMPANY LIMITED (JA) 1977-01-04 US disclosed
US-3985782-A Phenylthiourea derivatives RHONE-POULENC S.A. (FR) 1976-10-12 US disclosed
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US disclosed