SCHEMBL9727121

SCHEMBL9727121

Cc1[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 12/20 0.37
KMT2A Q03164 12/20 0.37
MAPT P10636 8/20 0.37
HTT P42858 7/20 0.37
GAA P10253 7/20 0.37
LMNA P02545 7/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NOD2 Q9HC29 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL9727170 0.84 GABRB3 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11685795 0.76 LMNA (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11687030 0.75 ALDH1A1 (0.53) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL435880 0.69 MEN1 (0.68) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL10436991 0.69 MAPT (0.57) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL2558964 0.69 MEN1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7454623 0.68 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11688590 0.67 MEN1 (0.46) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL94930 0.64 ALDH1A1 (0.55) MEN1KMT2AMAPTCA1CA2
SCHEMBL11380955 0.64 MAPT (0.40) SMN1; SMN2RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4909827-A Containing a C6-10 aryl group substituted in position 1 BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed