SCHEMBL11489705

SCHEMBL11489705

CN(C)C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP3A4 P08684 1/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
RAF1 P04049 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11706117 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL10890861 0.85 HTT (0.57) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL11814197 0.84 MEN1 (0.55) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL11835158 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL11626582 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL11836968 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL3807415 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2ARAB9A
SCHEMBL9892978 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2ARAB9A
SCHEMBL11737117 0.79 MEN1 (0.50) SMN1; SMN2MEN1CYP1A2KMT2ACYP3A4
SCHEMBL28676132 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MEN1CYP1A2KMT2ARAB9A

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
US-4209627-A PRE- AND POSTEMERGENCE HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1980-06-24 US disclosed