SCHEMBL289680

SCHEMBL289680

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 4/20 0.56
GAA P10253 3/20 0.56
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 6/20 0.46
TARBP2 Q15633 1/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL289699 0.83 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289847 0.81 KDM4E (0.64) KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10049087 0.81 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL298961 0.80 NPC1 (0.62) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289596 0.80 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL2809700 0.79 HTR2C (0.56) KDM4EPOLBKMT2AALDH1A1HPGD
SCHEMBL289408 0.79 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290134 0.79 KDM4E (0.75) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288793 0.78 KDM4E (0.56) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288846 0.77 KDM4E (0.84) 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