SCHEMBL299723

SCHEMBL299723

O=C(NCc1csc(-c2cccs2)n1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 1.00
RAB9A P51151 6/20 1.00
NPC1 O15118 5/20 1.00
PKM P14618 1/20 1.00
LMNA P02545 1/20 0.70
POLB P06746 2/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.56
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 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
SCHEMBL17273966 0.84 KDM4E (0.79) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL20324858 0.82 KDM4E (0.71) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL5508014 0.82 KDM4E (0.76) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL298858 0.79 KDM4E (1.00) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL20325233 0.78 KDM4E (0.69) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL20322400 0.76 KDM4E (0.66) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL18494882 0.75 KDM4E (0.61) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL3076290 0.74 KDM4E (0.58) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL3035445 0.73 KDM4E (0.71) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL17229235 0.72 KDM4E (0.58) KDM4ERAB9ANPC1PKMLMNA

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