SCHEMBL9711461

SCHEMBL9711461

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.88 HPD (0.43) HPDPOLBCYP3A4ALDH1A1NPC1
SCHEMBL9711480 0.87 HPD (0.45) HPDPOLBALDH1A1MEN1PKM
SCHEMBL9711623 0.87 HPD (0.42) HPDPOLBRAB9APKM
SCHEMBL9711537 0.86 HPD (0.37) HPDALDH1A1MEN1PKMKMT2A
SCHEMBL9711536 0.86 HPGD (0.41) HPDSMN1; SMN2POLBHPGDCYP1A2
SCHEMBL9711603 0.85 KDM4E (0.43) HPDSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL9711542 0.85 HPD (0.41) HPDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9711554 0.84 HPD (0.35) HPDALDH1A1NPC1RAB9AMEN1
SCHEMBL9711790 0.84 HPD (0.64) HPDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9711634 0.84 HPD (0.40) HPDRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2091005-A None JP disclosed
JP-2083305-A None JP disclosed
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
JP-H0291005-A WEEDING METHOD USING BROMOXYNIL MAY & BAKER LTD 1990-03-30 JP disclosed
JP-H0283305-A WEDDING BY USING ATRAZINE MAY & BAKER LTD 1990-03-23 JP 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
JP-H00283305-A 0001-01-01 JP disclosed
JP-H00291005-A 0001-01-01 JP disclosed