SCHEMBL11070019

SCHEMBL11070019

CC(C)N(N)C(=S)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.48
CYP3A4 P08684 1/20 0.47
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOX1 Q9Y5S8 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
SCHEMBL5455076 0.81 KMT2A (0.56) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL10670402 0.79 MEN1 (0.67) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL28025690 0.78 MTOR (0.56) ALDH1A1HSD17B10TP53TSHRMAPT
SCHEMBL23618280 0.74 ALDH1A1 (0.61) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL5448016 0.74 ALDH1A1 (0.61) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL2230702 0.73 ALDH1A1 (0.52) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL5455171 0.73 MEN1 (0.71) TAS2R38ALDH1A1HSD17B10MAPTCYP3A4
SCHEMBL31150164 0.70 TAS2R38 (0.56) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL1814658 0.70 TAS2R38 (0.58) TAS2R38ALDH1A1HSD17B10TP53TYR
SCHEMBL27574805 0.70 CYP1A2 (0.56) TAS2R38ALDH1A1HSD17B10TP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4462821-A 1-BENZOYL-3-THIOSEMICARBAZIDFES GULF OIL CORPORATION (US) 1984-07-31 US disclosed
EP-0009324-B1 SUBSTITUTED 1-BENZOYL-3-THIOSEMICARBAZIDES, THEIR MANUFACTURE AND USE AS PLANT GROWTH REGULANTS, AND AGRICULTURAL FORMULATIONS COMPRISING THEM Gulf Oil Corporation (US) 1982-07-21 EP disclosed
US-4282031-A Substituted thiosemicarbazides, their manufacture and use as plant growth regulants GULF OIL CORPORATION (US) 1981-08-04 US disclosed
EP-0009324-A1 Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them Gulf Oil Corporation (US) 1980-04-02 EP disclosed