SCHEMBL11825199

SCHEMBL11825199

CCOC(=O)c1cnc(N2CCNCC2)nc1N1CCS(=O)(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
DYRK1A Q13627 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11825216 0.92 MEN1 (0.50) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11824584 0.86 ALOX15 (0.67) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11822073 0.86 MEN1 (0.51) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11822825 0.86 MEN1 (0.51) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11819432 0.84 MEN1 (0.49) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL9684571 0.82 ADORA3 (0.49) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11821165 0.81 KMT2A (0.55) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11828210 0.81 ALDH1A1 (0.40) ALDH1A1ADORA3JAK2JAK3HSP90AA1
SCHEMBL12929334 0.78 ALDH1A1 (0.59) MEN1KMT2AALOX15ALDH1A1TSHR
SCHEMBL11873704 0.74 ADORA3 (0.44) MEN1KMT2AALOX15ALDH1A1TSHR

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed