SCHEMBL14224873

SCHEMBL14224873

CCOC(=O)O/N=C/c1csc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PLA2G4A P47712 1/20 0.32

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
SCHEMBL14197617 1.00 MAPT (0.38) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL23180607 0.74 HPGD (0.41) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10412422 0.72 HDAC1 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9331716 0.72 HDAC1 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6139665 0.70 MAPT (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5225981 0.70 BACE1 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6139668 0.70 MAPT (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5229133 0.70 MAPT (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5229354 0.70 BACE1 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6139928 0.70 BACE1 (0.39) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A

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-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed