SCHEMBL9768823

SCHEMBL9768823

CN(C)CCC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NR1I3 Q14994 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
P2RX4 Q99571 1/20 0.34

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
Hydrochloric Acid SCHEMBL9768695 0.99 KDM4E (0.47) KDM4EALDH1A1NR1I3MEN1KMT2A
SCHEMBL9768706 0.86 MAPT (0.44) KDM4EALDH1A1NR1I3KMT2ATP53
SCHEMBL9768762 0.84 NPC1 (0.40) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9768785 0.81 NPC1 (0.53) ALDH1A1TP53CA2CA9
SCHEMBL9768744 0.79 NR1I3 (0.44) KDM4EALDH1A1NR1I3POLBTP53
SCHEMBL9768832 0.78 MTNR1A (0.40) MEN1KMT2APOLBTP53MAPT
SCHEMBL9768826 0.77 MAPT (0.41) KDM4EALDH1A1NR1I3MEN1KMT2A
SCHEMBL9768740 0.76 CYP2D6 (0.53) KDM4EALDH1A1NR1I3KMT2AL3MBTL1
SCHEMBL9768831 0.76 ALDH1A1 (0.56) KDM4EALDH1A1NR1I3MEN1KMT2A
SCHEMBL9768774 0.76 ALDH1A1 (0.43) KDM4EALDH1A1NR1I3MEN1KMT2A

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-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US claimed