SCHEMBL9875424

SCHEMBL9875424

CCCN(CCC)C(=O)CNc1c(C(=O)c2ccccc2)cnc2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 3/20 0.41
MAPK10 P53779 1/20 0.40
TSPO P30536 1/20 0.39
NUDT1 P36639 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39

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
SCHEMBL10682320 0.91 MEN1 (0.57) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10607926 0.85 KDM4E (0.72) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10674894 0.82 GAA (0.56) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10670596 0.80 KDM4E (0.69) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10673389 0.80 MEN1 (0.49) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL9875417 0.79 MEN1 (0.50) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL9874474 0.79 SMN1; SMN2 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10681825 0.79 GAA (0.65) MEN1KMT2AKDM4EGAAALDH1A1
Water SCHEMBL10680272 0.78 MAPK1 (0.53) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10674862 0.77 KDM4E (0.58) MEN1KMT2AKDM4EGAAALDH1A1

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed