SCHEMBL289880

SCHEMBL289880

Cc1nc(-c2ccc(-c3ccoc3)s2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 5/20 0.52
RAB9A P51151 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.43
TARBP2 Q15633 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
XDH P47989 3/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10049085 0.88 SMN1; SMN2 (0.65) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289161 0.84 ALDH1A1 (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL289596 0.82 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290134 0.81 KDM4E (0.75) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289408 0.81 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289699 0.79 KDM4E (0.61) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289635 0.77 KDM4E (0.57) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289681 0.76 KDM4E (0.56) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289879 0.76 CYP3A4 (0.62) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289866 0.75 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ERAB9AGAANPC1

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