SCHEMBL8943512

SCHEMBL8943512

COc1nc(S)nc(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL11110111 0.97 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL3393748 0.94 MEN1 (0.34) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL33145 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL9266759 0.82 TP53 (0.39) TSHRHTT
SCHEMBL23432491 0.80 ALPL (0.32) ALDH1A1MAPTSMN1; SMN2
SCHEMBL10637349 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL1131131 0.71 GAA (0.47) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL11929988 0.71 HRH4 (0.34) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL1576395 0.69 TSHR (0.44) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL11779440 0.69 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54160390-A None JP disclosed
JP-55049361-A None JP disclosed
JP-60109576-A None JP disclosed
US-20210278761-A1 COLORING PHOTOSENSITIVE COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-09-09 US disclosed
US-5529977-A A 3-ALKOXYBUTYRYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 1996-06-25 US disclosed
US-5387575-A Pyrimidine derivatives, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1995-02-07 US disclosed
EP-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed
EP-0050261-B1 MOULDING MASSES STABILIZED AGAINST THERMOLYSIS WITH A LOW MONOMER CONTENT BAYER AG (DE) 1985-08-14 EP disclosed
JP-S60109576-A NOVEL COMPOUND HAVING P-METHOXYBENZYLOXYCARBONYL GROUP HODOGAYA CHEM CO LTD 1985-06-15 JP disclosed
US-4477662-A 2-Substituted thio carbapenem derivatives BEECHAM GROUP P.L.C. (GB) 1984-10-16 US disclosed
EP-0060612-A1 Process for the preparation of azabicyclo(3.2.0)-hept-2-ene derivatives BEECHAM GROUP PLC (GB) 1982-09-22 EP disclosed
JP-S5549361-A NOVEL COMPOUND HAVING BENZYLOXYCARBONYL GROUP AND ITS PREPARATION HODOGAYA CHEM CO LTD 1980-04-09 JP disclosed
JP-S54160390-A NOVEL THIOLCARBONATE AND ITS PREPARATION HODOGAYA CHEM CO LTD 1979-12-19 JP disclosed