SCHEMBL300043

SCHEMBL300043

Cc1nc(Br)sc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 3/20 0.51
GLA P06280 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL14925215 0.81 LMNA (0.56) KMT2ATSHRALDH1A1HSD17B10LMNA
SCHEMBL298546 0.76 MAPK1 (0.56) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL279608 0.73 MEN1 (0.74) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL299338 0.73 NAMPT (0.61) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL76649 0.71 GAA (0.68) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL763452 0.71 HTT (0.78) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL1895320 0.71 CNR1 (0.61) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL17788501 0.71 HTT (0.71) KMT2ATSHRALDH1A1GAALMNA
SCHEMBL3980169 0.71 MEN1 (0.74) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL5222020 0.70 SMN1; SMN2 (0.67) TSHRALDH1A1KDM4ESMN1; SMN2

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
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed