SCHEMBL289699

SCHEMBL289699

Cc1ccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)s2)s1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
RAB9A P51151 3/20 0.58
GAA P10253 3/20 0.58
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
TARBP2 Q15633 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
XDH P47989 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL299363 0.87 RAB9A (0.55) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289408 0.86 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288793 0.85 KDM4E (0.56) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289596 0.84 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288846 0.84 KDM4E (0.84) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290134 0.83 KDM4E (0.75) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL10049087 0.83 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289680 0.83 KDM4E (0.60) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL3826145 0.82 LMNA (0.55) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290278 0.81 KDM4E (0.66) KDM4ESMN1; SMN2RAB9ANPC1KMT2A

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