SCHEMBL7121966

SCHEMBL7121966

CCCCc1ccc(OC(N)=S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRA P10827 1/20 0.49
HTT P42858 1/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
HSD17B10 Q99714 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 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
SCHEMBL28410277 0.95 THRB (0.58) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28413249 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28418184 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28415890 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28422511 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28416772 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28416768 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28413251 0.93 THRB (0.57) THRBLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28419900 0.89 THRB (0.54) THRBALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL530113 0.82 THRB (0.59) THRBALDH1A1HPGDSMN1; SMN2THRA

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
CN-111320562-B Method for producing isothiocyanate 旭化成株式会社 2022-08-16 CN disclosed
CN-113880741-A Method for producing isothiocyanate 旭化成株式会社 2022-01-04 CN disclosed
CN-111320562-A Method for producing isothiocyanate 旭化成株式会社 2020-06-23 CN disclosed
EP-0639578-B1 Molybdenum-containing friction-reducing additives SHELL INT RESEARCH (NL) 2003-11-19 EP disclosed
US-5468891-A Molybdenum-containing friction-reducing additives SHELL OIL COMPANY (US) 1995-11-21 US disclosed
EP-0639578-A2 Molybdenum-containing friction-reducing additives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-02-22 EP disclosed