SCHEMBL289681

SCHEMBL289681

Cc1nc(-c2ccc(-c3ccco3)s2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 2/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
IKBKB O14920 1/20 0.40
CNR1 P21554 1/20 0.40
TARBP2 Q15633 1/20 0.40

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
SCHEMBL10049086 0.88 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2TDP1PKMRAB9A
SCHEMBL289610 0.84 ALDH1A1 (0.60) KDM4ESMN1; SMN2TDP1PKMRAB9A
SCHEMBL289596 0.79 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2RAB9AGAAKMT2A
SCHEMBL289699 0.79 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAAKMT2A
SCHEMBL289408 0.78 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAAKMT2A
SCHEMBL289880 0.76 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2TDP1PKMRAB9A
SCHEMBL288846 0.76 KDM4E (0.84) KDM4ESMN1; SMN2RAB9AGAAKMT2A
SCHEMBL290134 0.75 KDM4E (0.75) KDM4ESMN1; SMN2TDP1RAB9AGAA
SCHEMBL289680 0.75 KDM4E (0.60) KDM4ESMN1; SMN2RAB9AGAAKMT2A
SCHEMBL10049087 0.75 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAAKMT2A

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