SCHEMBL9837655

SCHEMBL9837655

C=CCn1c(=O)sc2cc(F)c(NC(=S)N3CCCCN3C(=O)OCC)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 9/20 0.36
HPGD P15428 5/20 0.36
POLB P06746 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL9837599 0.91 SHMT2 (0.40) SHMT2ALDH1A1HPGDPOLBTDP1
SCHEMBL9687121 0.75 GRIN1 (0.34) ALDH1A1TDP1KMT2AMAPTKDM4E
SCHEMBL11104285 0.69 PPOX (0.39) ALDH1A1KMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL10413738 0.66 SHMT2 (0.36) SHMT2ALDH1A1HPGDKDM4E
SCHEMBL9839357 0.66 SHMT2 (0.39) SHMT2ALDH1A1HPGDMAPTKDM4E
SCHEMBL8355924 0.64 SHMT2 (0.45) SHMT2ALDH1A1HPGDPOLBKMT2A
SCHEMBL9478574 0.64 TP53 (0.37) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL9478581 0.64 TP53 (0.37) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL11571205 0.63 KMT2A (0.52) ALDH1A1HPGDPOLBKMT2AL3MBTL1
SCHEMBL9478926 0.63 SMN1; SMN2 (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230874-B1 BENZOTHIAZOLYLAZOLIDINES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP disclosed
US-4898948-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-06 US disclosed
US-4828605-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-09 US disclosed
US-4786310-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-22 US disclosed
EP-0230874-A1 Benzothiazolylazolidines, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-05 EP disclosed