SCHEMBL8129698

SCHEMBL8129698

CSc1nc(C(F)(F)F)cc(=O)n1-c1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC22A12 Q96S37 1/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
APLNR P35414 1/20 0.35
NT5E P21589 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8127555 0.73 ALDH1A1 (0.33) MEN1KMT2AALDH1A1SLC22A12POLB
SCHEMBL8132932 0.72 MEN1 (0.56) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL6565139 0.70 PKM (0.59) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL7893270 0.69 RXFP1 (0.46) PDE7AMEN1KMT2AALDH1A1SLC22A12
SCHEMBL9723079 0.68 NPSR1 (0.44) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL7098307 0.68 BCAT1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL7098719 0.67 RXFP1 (0.37) MEN1KMT2AALDH1A1SLC22A12TSHR
SCHEMBL6566576 0.66 ALDH1A1 (0.49) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL8120597 0.65 SLC22A12 (0.33) SLC22A12RXFP1
SCHEMBL29831714 0.64 PDE7A (1.00) PDE7AMEN1KMT2ASLC22A12LMNA

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
US-6165942-A Heterocycle-fused pyrimidinone derivative and herbicidal composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-0970958-A1 HETEROCYCLE-FUSED PYRIMIDINONE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-01-12 EP disclosed