SCHEMBL7954932

SCHEMBL7954932

Nc1c2c(cc(F)c1N1C(=O)C3=C(CCCC3)C1=O)OCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR3C2 P08235 6/20 0.33
NR3C1 P04150 2/20 0.31
PGR P06401 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL7966147 0.82 MAPT (0.32) NPSR1NR3C2MAPT
SCHEMBL7965147 0.76 CYP11B1 (0.31)
SCHEMBL7968012 0.74 TP53 (0.42) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL9599303 0.72 NR3C2 (0.38) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL7964572 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6849141 0.68
SCHEMBL11716549 0.67 GRM7 (0.34)
SCHEMBL4105175 0.64 NR3C2 (0.44) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2
SCHEMBL7967889 0.64
SCHEMBL10911239 0.63 MMP12 (0.36) ALDH1A1KMT2ASMN1; SMN2NPSR1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed