SCHEMBL298546

SCHEMBL298546

Cc1nc(-c2ccc(Br)s2)sc1C(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL290307 0.82 CD274 (0.61) KMT2ATSHRLMNAALDH1A1CYP1A2
SCHEMBL288460 0.82 CYP1A2 (0.55) KMT2ATSHRLMNAALDH1A1CYP1A2
SCHEMBL14925215 0.78 LMNA (0.56) KMT2ATSHRLMNAALDH1A1CYP1A2
SCHEMBL298961 0.78 NPC1 (0.62) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL300043 0.76 MEN1 (0.58) MAPK1KMT2AMEN1L3MBTL1TSHR
SCHEMBL23956927 0.76 CD274 (0.52) MAPK1KMT2ATSHRLMNAALDH1A1
SCHEMBL23956924 0.75 TSHR (0.49) MAPK1TSHRLMNAALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29217421 0.74 TSHR (0.48) MAPK1TSHRLMNAALDH1A1CYP1A2
SCHEMBL14925259 0.74 KMT2A (0.50) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL21763579 0.73 ERN1 (0.51) KMT2ATSHRLMNAALDH1A1CYP1A2

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