SCHEMBL7981665

SCHEMBL7981665

CC(C)N(C(=O)n1nnn(CC2CO2)c1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
DHFR P00374 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
OPRM1 P35372 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
SCHEMBL7986002 0.86 CHRM2 (0.41) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL7977947 0.83 CHRM2 (0.39) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8346740 0.82 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620371 0.82 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8546039 0.80 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620447 0.80 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8690403 0.79 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8550504 0.79 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL7977970 0.78 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620586 0.78 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2CHRM2

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-6262275-B1 AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-07-17 US disclosed
US-6017853-A HERBICIDES; CHEMICAL INTERMEDIATES NIHON BAYER AGROCHEM K.K. (JP) 2000-01-25 US disclosed