SCHEMBL54010

SCHEMBL54010

O=C1C2C=CCCC2C(=O)N1SC(Cl)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
Captan SCHEMBL8409894 0.94 ALDH1A1 (0.69) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL11857113 0.88 ALDH1A1 (0.44) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL11383721 0.85 ALDH1A1 (0.42) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL54535 0.85 ALDH1A1 (0.42) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL11379731 0.85 ALDH1A1 (0.42) ALDH1A1LMNATP53CYP3A4HPGD
Zinc Ion SCHEMBL11233374 0.83 ALDH1A1 (0.42) ALDH1A1LMNATP53CYP3A4HPGD
Captan SCHEMBL11545954 0.80 ALDH1A1 (0.61) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL3681253 0.80 ALDH1A1 (0.36) ALDH1A1LMNATP53CYP3A4HPGD
Folpet SCHEMBL11225944 0.76 ALDH1A1 (0.36) ALDH1A1LMNATP53CYP3A4HPGD
SCHEMBL5448489 0.76 ALDH1A1 (0.32) ALDH1A1LMNATP53CYP3A4HPGD

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 1629 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352876-B1 TREATED TEXTILE MATERIAL FOR USE IN AQUATIC ENVIRONMENTS BASF SE (DE) 2012-12-12 EP claimed
US-20120071522-A1 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2012-03-22 US claimed
EP-1861445-A1 FOULING RESISTANT POLYURETHANES, IN PARTICULAR FOR MARITIME USE BASF AKTIENGESELLSCHAFT (DE) 2007-12-05 EP claimed
WO-2006097425-A1 FOULING RESISTANT POLYURETHANES, IN PARTICULAR FOR MARITIME USE BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 WO claimed
WO-2006019517-A2 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2006-02-23 WO claimed
US-20060013833-A1 Thermal stabilization of biocides in matrix compositions processed at elevated temperatures ISP INVESTMENTS INC. 2006-01-19 US claimed
US-6436421-B1 Pesticide compositions ?ROHM AND HAAS COMPANY 2002-08-20 US claimed
EP-0170395-A1 Pesticidal composition CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1986-02-05 EP claimed
US-4438593-A Anti-fungal performance in pelleted seeds through use of hydrophobes CELANESE CORPORATION (US) 1984-03-27 US claimed
EP-0099523-A2 Iodopropargyl esters of carboxylic acids BAYER AG (DE) 1984-02-01 EP claimed
US-4378367-A INSECTICIDES; PESTICIDES; PROTECT-IVE COATINGS FBC LIMITED (GB) 1983-03-29 US claimed
US-3954992-A FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 US claimed
JP-56167605-A None JP disclosed
JP-63119403-A None JP disclosed
JP-56154406-A None JP disclosed
JP-63284275-A None JP disclosed
US-3962444-A Use of 4-thiocyano-quinazolines as fungicides U.S. PHILIPS CORPORATION (US) 1976-06-08 US disclosed
US-3958007-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-18 US disclosed
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 1976-01-20 US disclosed