SCHEMBL8676871

SCHEMBL8676871

C#CCn1c(-c2ccccc2)nc(C(F)(F)F)c(C=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 3/20 0.36
PTBP1 P26599 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
CASR P41180 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8679119 0.82 TLR7 (0.40) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
SCHEMBL8678081 0.81 TLR7 (0.40) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
SCHEMBL8678688 0.81 KDM5B (0.40) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
SCHEMBL8678941 0.78 TLR7 (0.38) L3MBTL1TLR7SMN1; SMN2LMNANPSR1
SCHEMBL8677187 0.77 TLR7 (0.37) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
SCHEMBL18176612 0.71 ALDH1A1 (0.65) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
Fluoromethane SCHEMBL27480458 0.71 ALPL (0.43) TLR7SMN1; SMN2LMNARAB9AMEN1
SCHEMBL8680407 0.70 KDM5A (0.41) SMN1; SMN2NPSR1MEN1HTTKMT2A
SCHEMBL8678948 0.69 TLR7 (0.44) L3MBTL1TLR7SMN1; SMN2LMNARAB9A
SCHEMBL8680415 0.69 TLR7 (0.42) L3MBTL1TLR7SMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726124-A IN MIXTURE WITH OTHER HERBICIDES, ALKYLATION AND ETHERIFICATION OF PYRIMIDINONE AND THIOPYRIMIDINONE COMPOUNDS ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5453414-A 2-arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-09-26 US disclosed
EP-0663396-A1 2-Arylpyrimidines and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1995-07-19 EP disclosed