SCHEMBL8174635

SCHEMBL8174635

Cc1cnc2ccccc2n1.O=C(O)S.O=C(O)S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 3/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTK2 Q05397 1/20 0.45
MAPT P10636 1/20 0.44
MGAM O43451 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8174637 0.89 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL28571 0.86 PDE10A (0.52) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL27547853 0.84 ALDH1A1 (0.80) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
Formaldehyde SCHEMBL28095446 0.84 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL29004253 0.84 PDE10A (0.50) ALDH1A1HPGDALOX15HSD17B10KDM4E
Ethane SCHEMBL11413846 0.84 PDE10A (0.50) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL30961661 0.84 PDE10A (0.50) ALDH1A1HPGDALOX15HSD17B10KDM4E
Water SCHEMBL16742371 0.84 PDE10A (0.50) ALDH1A1HPGDALOX15HSD17B10KDM4E
SCHEMBL8588948 0.84 NPSR1 (0.41) ALDH1A1HPGDALOX15HSD17B10KDM4E
Acetaldehyde SCHEMBL11425484 0.81 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54126730-A None JP disclosed
US-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 US disclosed
US-5470984-A Insecticides, molluscicides SHELL RESEARCH LIMITED (GB) 1995-11-28 US disclosed
US-5354762-A Insecticides ROHM AND HAAS COMPANY (US) 1994-10-11 US disclosed
US-5342958-A Insecticides SOLVAY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-08-30 US disclosed
EP-0338685-B1 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles SHELL INT RESEARCH (NL) 1994-06-29 EP disclosed
US-5319092-A Insecticides, miticides, aphidicides, molluscicides and plant growth regulators SHELL RESEARCH LIMITED (GB) 1994-06-07 US disclosed
US-5245071-A Insecticides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-09-14 US disclosed
EP-0347216-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYLHYDRAZINES AND N'-SUBSTITUTED -N-ACYL-N'-ALKYLCARBONYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1993-09-01 EP disclosed
EP-0261755-B1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVES OF N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-12-16 EP disclosed
US-4156007-A INSECTICIDES U.S. PHILIPS CORPORATION (US) 1979-05-22 US disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP disclosed
US-4110469-A Insecticidal N-(2,6-dichlorobenzoyl)-N'-(4-cyanophenyl) urea U.S. PHILIPS CORPORATION (US) 1978-08-29 US disclosed
US-4095026-A PYRAZOLINE COMPOUNDS HAVING INSECTICIDAL ACTIVITY U.S. PHILIPS CORPORATION (US) 1978-06-13 US disclosed
US-4070365-A INSECTICIDES U.S. PHILIPS CORPORATION (US) 1978-01-24 US disclosed
US-4013717-A BENZOYL PHENYL UREA DERIVATIVES HAVING INSECTICIDAL ACTIVITIES U.S. PHILIPS CORPORATION (US) 1977-03-22 US disclosed
US-4010271-A NOVEL PYRAZOLINE COMPOUNDS HAVING INSECTICIDAL ACTIVITY U.S. PHILIPS CORPORATION (US) 1977-03-01 US disclosed
US-3991073-A Pyrazoline compounds having insecticidal activity U.S. PHILIPS CORPORATION (US) 1976-11-09 US disclosed
US-3989842-A Certain substituted benzoyl urea insecticides U.S. PHILIPS CORPORATION (US) 1976-11-02 US disclosed
US-3933908-A INSECTICIDE U.S. PHILIPS CORPORATION (US) 1976-01-20 US disclosed