SCHEMBL20053516

SCHEMBL20053516

CCNC(=O)CCN1C(=O)CSC1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 5/20 0.52
GSK3A P49840 7/20 0.50
GSK3B P49841 7/20 0.50
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 2/20 0.43
RECQL P46063 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 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
SCHEMBL6791551 0.85 GSK3A (0.61) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL16321392 0.83 GAA (0.51) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL17445529 0.80 MEN1 (0.60) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL24796311 0.78 KMT2A (0.51) MEN1KMT2AGAAALDH1A1HSD17B10
SCHEMBL1279204 0.78 MEN1 (0.77) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL17445556 0.77 GAA (0.55) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL28286248 0.76 MEN1 (0.60) MEN1KMT2AGAAALDH1A1GSK3A
Hydrochloric Acid SCHEMBL28286249 0.76 MEN1 (0.74) MEN1KMT2AGAAALDH1A1GSK3A
SCHEMBL21119414 0.76 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL3138532 0.76 GSK3A (0.56) MEN1KMT2AGAAALDH1A1GSK3A

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-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed