SCHEMBL9502417

SCHEMBL9502417

CN1CC(=O)NC(=O)N1c1cc(Cl)c(Sc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIPE Q05469 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL9501084 0.75 MEN1 (0.42) MEN1KMT2AGAALMNACYP3A4
SCHEMBL9503269 0.75 NPBWR1 (0.35) LMNANPSR1ALDH1A1
SCHEMBL11774292 0.70 KMT2A (0.42) MEN1KMT2AGAALMNACYP3A4
SCHEMBL7922604 0.68 GAA (0.40) MEN1KMT2AGAALMNACYP3A4
SCHEMBL9501160 0.68 LMNA (0.36) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL9504429 0.68 MEN1 (0.38) MEN1KMT2AGAALMNACYP3A4
SCHEMBL7910217 0.68 GAA (0.43) MEN1KMT2AGAALMNACYP3A4
SCHEMBL9501824 0.67 LMNA (0.31) LMNANPSR1
SCHEMBL7917515 0.67 GAA (0.39) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11770905 0.66 NPSR1 (0.51) MEN1KMT2AGAALMNACYP3A4

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-5188832-A Triazine-dione compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0383285-A2 Agent against fish and insect parasites HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-22 EP disclosed