SCHEMBL298858

SCHEMBL298858

O=C(NCc1csc(-c2cccs2)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 1.00
NPC1 O15118 5/20 1.00
ALDH1A1 P00352 3/20 0.74
RAB9A P51151 5/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.65
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
ROCK2 O75116 1/20 0.55
GRK2 P25098 1/20 0.55

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
SCHEMBL3035445 0.83 KDM4E (0.71) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL20324858 0.82 KDM4E (0.71) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5508014 0.82 KDM4E (0.76) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL299723 0.79 KDM4E (1.00) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL20325233 0.78 KDM4E (0.69) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL5121846 0.77 KDM4E (0.62) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL2199174 0.77 KDM4E (0.61) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL20322400 0.76 KDM4E (0.66) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL298827 0.75 KDM4E (1.00) KDM4ENPC1ALDH1A1RAB9ALMNA
SCHEMBL18494882 0.75 KDM4E (0.61) KDM4ENPC1ALDH1A1RAB9ALMNA

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 2 patents. 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 claimed
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