SCHEMBL289679

SCHEMBL289679

CCOC(=O)c1sc(-c2ccc(-c3cc4cc(F)ccc4s3)s2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
LMNA P02545 3/20 0.48
TRPM8 Q7Z2W7 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
DHODH Q02127 2/20 0.43
MAPT P10636 2/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL289509 0.89 KDM4E (0.55) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289947 0.87 ALDH1A1 (0.53) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL288852 0.86 KDM4E (0.59) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289698 0.85 KDM4E (0.48) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL20176200 0.82 KDM4E (0.50) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289746 0.82 TRPM8 (0.62) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289325 0.81 TRPM8 (0.65) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL290278 0.80 KDM4E (0.66) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL289614 0.78 KDM4E (0.64) KDM4EALDH1A1CDC7DBF4LMNA
SCHEMBL3827647 0.78 KDM4E (0.69) KDM4EALDH1A1CDC7DBF4LMNA

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 disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed