SCHEMBL13239077

SCHEMBL13239077

Cc1nc(C2CCCCC2)c(C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
NPY5R Q15761 1/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL21610926 0.98 TSHR (0.35) CHRM4HRH2HRH3NPC1RAB9A
SCHEMBL21610927 0.94 ALDH1A1 (0.35) CHRM4SMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL13304555 0.89 GAA (0.36) CHRM4SMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL16637190 0.80 MAPT (0.47) CHRM4HRH2HRH3NPC1RAB9A
SCHEMBL16636742 0.73 MAPT (0.48) HRH2HRH3SMN1; SMN2ALDH1A1GAA
SCHEMBL21610915 0.71 MEN1 (0.35) CHRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21306241 0.69 ALDH1A1 (0.41) HRH2HRH3L3MBTL1ALDH1A1HSD17B10
SCHEMBL25142947 0.68 MAPT (0.57) CHRM4HRH2SMN1; SMN2ALDH1A1GAA
SCHEMBL31176186 0.68 GAA (0.35) CHRM4SMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL21610914 0.68 MEN1 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 US disclosed
US-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 US disclosed
EP-2687565-A1 INK COMPOSITION, INKJET PRINTING INK, AND INKJET PRINTING METHOD FUJIFILM Corporation (JP) 2014-01-22 EP disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 US disclosed
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 US disclosed
WO-2007046553-A1 INK COMPOSITION, MANUFACTURING METHOD OF INK, INK SET, AND RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-04-26 WO disclosed
EP-1777273-A1 Ink composition, ink set and recording method Fujifilm Corporation (JP) 2007-04-25 EP disclosed