SCHEMBL8948523

SCHEMBL8948523

CC1(C)Oc2c(cccc2[N+](=O)[O-])C1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 1/20 0.42
S100A4 P26447 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
PTPRC P08575 1/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
PGR P06401 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8948584 0.83 CA1 (0.50) CA1CA2CA7CA9TDP1
SCHEMBL31217611 0.76 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL18089743 0.76 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL21461159 0.73 CA1 (0.38) CA1CA2CA7CA9TDP1
SCHEMBL8948740 0.69 CA1 (0.49) CA1CA2CA7CA9TDP1
SCHEMBL19421339 0.69 TDP1 (0.54) CA1CA2CA7CA9TDP1
SCHEMBL21461153 0.68 CA1 (0.36) CA1CA2CA7CA9TDP1
SCHEMBL21460994 0.67 CA1 (0.40) CA1CA2CA7CA9TDP1
SCHEMBL2963825 0.67 MEN1 (0.50) TDP1GPR35SMN1; SMN2ALDH1A1TSHR
SCHEMBL19040317 0.65 ALDH1A1 (0.48) CA1CA2CA7CA9TDP1

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-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed