SCHEMBL8302671

SCHEMBL8302671

O=c1cc(C(F)(F)F)n(-c2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7896709 0.79 BCAT2 (0.48) POLBGAAALDH1A1ATML3MBTL1
SCHEMBL8574499 0.72 POLB (0.36) POLBATMHTT
SCHEMBL5858296 0.71 ALDH1A1 (0.52) POLBGAAALDH1A1ATMRECQL
SCHEMBL8599863 0.70 GAA (0.49) POLBGAAALDH1A1ATML3MBTL1
SCHEMBL10701517 0.70 ALDH1A1 (0.51) POLBGAAALDH1A1ATMRECQL
SCHEMBL10700184 0.69 ALDH1A1 (0.50) POLBGAAALDH1A1ATMRECQL
SCHEMBL10457648 0.69 ALDH1A1 (0.56) POLBGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL9683010 0.68 ALDH1A1 (0.49) POLBGAAALDH1A1ATMRECQL
SCHEMBL9765814 0.68 ALDH1A1 (0.49) POLBGAAALDH1A1ATML3MBTL1
SCHEMBL31442417 0.68 HCAR1 (0.40) GAAMAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999052906-A1 SUBSTITUTED OXAZOLYLE AND THIAZOLYL URACIL HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed
EP-0946544-A1 HETEROCYCLYLURACIL BAYER AG (DE) 1999-10-06 EP disclosed
WO-1998027088-A1 HETEROCYCLYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998027082-A1 HETEROCYCLYLURACIL BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed