SCHEMBL755164

SCHEMBL755164

Cc1ccccc1C(=O)N1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
HSD11B1 P28845 4/20 0.58
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HCRTR1 O43613 1/20 0.50

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
SCHEMBL13789607 0.89 KMT2A (0.60) HTTHSD11B1MEN1KMT2AKDM4E
SCHEMBL733606 0.84 HSD11B1 (0.64) HTTHSD11B1MEN1KMT2AKDM4E
SCHEMBL7124208 0.83 LMNA (0.67) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL733434 0.81 KMT2A (0.52) HTTHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL12550418 0.81 LMNA (0.67) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL735124 0.80 LMNA (0.66) HTTHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL734562 0.80 HSD11B1 (0.58) HTTHSD11B1MEN1KMT2AKDM4E
SCHEMBL751828 0.78 ALDH1A1 (0.66) HTTHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL735495 0.78 GAA (0.69) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4402433 0.78 LMNA (0.90) HTTHSD11B1ALDH1A1MEN1KMT2A

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-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed