SCHEMBL15310641

SCHEMBL15310641

CC1CN(C(=O)C(Cl)Cl)C(C)(C)C2CCCN12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL375912 0.71 DPP4 (0.33) MEN1ALDH1A1KMT2ADPP4PITRM1
SCHEMBL15466110 0.70 ALDH1A1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL9872524 0.62 MEN1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL9507715 0.61 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL8429251 0.61 SMN1; SMN2 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL167473 0.61 SMN1; SMN2 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL8429253 0.61 SMN1; SMN2 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL9786754 0.60
SCHEMBL11098170 0.59 MEN1 (0.30) MEN1ALDH1A1KMT2A
SCHEMBL9786791 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121639-B1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2013-10-16 EP disclosed