SCHEMBL9711542

SCHEMBL9711542

CC1(C)CC(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.41
ALDH1A1 P00352 5/20 0.38
ALDH3A1 P30838 4/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9711467 0.86 HPD (0.43) HPDALDH1A1MAPTLMNAGAA
SCHEMBL9134511 0.85 HPD (0.47) HPDALDH1A1ALDH3A1MAPTLMNA
SCHEMBL9711480 0.85 HPD (0.45) HPDALDH1A1MAPTGAAMEN1
SCHEMBL9711461 0.85 HPD (0.42) HPDALDH1A1MEN1KMT2ARAB9A
SCHEMBL9711623 0.85 HPD (0.42) HPDMAPTRAB9AMAPK1KDM4E
SCHEMBL9711539 0.84 LMNA (0.39) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL9711603 0.83 KDM4E (0.43) HPDALDH1A1MAPTLMNAGAA
SCHEMBL9711634 0.82 HPD (0.40) HPDMAPTMEN1KMT2ARAB9A
SCHEMBL9711790 0.82 HPD (0.64) HPDALDH1A1MAPTGAAMEN1
SCHEMBL9711483 0.82 ALDH1A1 (0.40) HPDALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0354047-A2 Herbicidal method using atrazine MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0354046-A2 Herbicidal method using bromoxynil MAY & BAKER LIMITED (GB) 1990-02-07 EP disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed