SCHEMBL9711537

SCHEMBL9711537

CC1(C)CC(=O)C(C(=O)c2cc(Cl)c(Cl)cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.37
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.31
PKM P14618 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GPR35 Q9HC97 1/20 0.31
VCAM1 P19320 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL9711554 0.93 HPD (0.35) HPDMAPTLMNAMEN1PKM
SCHEMBL9711461 0.86 HPD (0.42) HPDMEN1PKMKMT2AALDH1A1
SCHEMBL9711670 0.84 HTT (0.31)
SCHEMBL9711467 0.83 HPD (0.43) HPDMAPTLMNAMEN1PKM
SCHEMBL9711480 0.82 HPD (0.45) HPDMAPTMEN1PKMKMT2A
SCHEMBL9711623 0.82 HPD (0.42) HPDMAPTPKMKDM4E
SCHEMBL9711483 0.81 ALDH1A1 (0.40) HPDMAPTLMNAALDH1A1KDM4E
SCHEMBL9711542 0.80 HPD (0.41) HPDMAPTLMNAMEN1KMT2A
SCHEMBL9711790 0.79 HPD (0.64) HPDMAPTMEN1PKMKMT2A
SCHEMBL9711634 0.79 HPD (0.40) HPDMAPTMEN1KMT2AVCAM1

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed