SCHEMBL289832

SCHEMBL289832

Cc1nc(-c2ccc(-c3cc4cc(O)ccc4s3)s2)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.42
DYRK1A Q13627 5/20 0.42
DYRK1B Q9Y463 5/20 0.42
CLK1 P49759 4/20 0.42
ALDH1A1 P00352 3/20 0.41
XDH P47989 2/20 0.39
TARBP2 Q15633 1/20 0.38
HSD17B1 P14061 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL290105 0.89 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289698 0.87 KDM4E (0.48) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290387 0.86 KDM4E (0.47) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290238 0.85 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289411 0.81 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289699 0.79 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289881 0.77 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289408 0.75 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289509 0.74 KDM4E (0.55) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288793 0.74 KDM4E (0.56) KDM4ESMN1; SMN2RAB9AGAANPC1

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