SCHEMBL9226972

SCHEMBL9226972

CCc1cn(-c2ccccc2C(F)(F)F)c(=N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
POLB P06746 1/20 0.35
HCAR1 Q9BXC0 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
HSD11B1 P28845 1/20 0.33
APP P05067 1/20 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
SCHEMBL8829702 0.74 AR (0.40)
SCHEMBL8010810 0.72 HTT (0.41) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL25002872 0.68 TDP1 (0.41) TDP1L3MBTL1POLBHCAR1ALDH1A1
SCHEMBL19732301 0.62 TRPV1 (0.61) ALDH1A1TRPV1APPAMY1A
SCHEMBL25644300 0.62 KDM4E (0.49) TDP1L3MBTL1POLBHCAR1ALDH1A1
SCHEMBL13282055 0.62 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHSD11B1
SCHEMBL12871677 0.61 LMNA (0.40) TDP1L3MBTL1HCAR1ALDH1A1MAPT
SCHEMBL3303708 0.61 ALDH1A1 (0.53) TDP1L3MBTL1POLBHCAR1ALDH1A1
SCHEMBL28165028 0.60 IDO1 (0.42) TDP1L3MBTL1POLBALDH1A1MEN1
SCHEMBL239404 0.59 IDO1 (0.55) TDP1POLBALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0446802-B1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1995-06-07 EP disclosed
EP-0446802-A1 Iminothiazolines, their production and use as herbicides, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed