SCHEMBL9875417

SCHEMBL9875417

CCCN(CCC)C(=O)N(C)c1c(C(=O)c2ccccc2)cnc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL9875424 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9874472 0.78 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9874612 0.74 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9875561 0.73 MEN1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10675902 0.72 MEN1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9175047 0.71 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL10682320 0.69 MEN1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9874916 0.68 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL15190928 0.67 KMT2A (0.63) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL9875419 0.67 LMNA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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