SCHEMBL9728484

SCHEMBL9728484

CN(C(=S)NC(=O)c1ccccc1)c1ccccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHIA Q9BZP6 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EPHX1 P07099 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL9728508 0.91 KMT2A (0.47) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9818479 0.87 POLB (0.52) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9728781 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19152011 0.85 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9728491 0.85 NPC1 (0.53) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9409114 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL10400661 0.75 PKM (0.66) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL14698797 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AHPGDSMN1; SMN2GAA
SCHEMBL11411919 0.72 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3413960 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AHPGDSMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-5001157-A Substituted N-[[2-(aminocarbonyl)phenylamino]thioxomethyl]benzamides AMERICAN CYANAMID COMPANY (US) 1991-03-19 US disclosed