SCHEMBL289698

SCHEMBL289698

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 7/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 4/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.41
XDH P47989 1/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TARBP2 Q15633 1/20 0.37
DHODH Q02127 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37

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 0.88 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289832 0.87 KDM4E (0.49) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289679 0.85 KDM4E (0.53) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290387 0.85 KDM4E (0.47) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290238 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289699 0.78 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL26500225 0.76 HDAC6 (0.36) KDM4ERAB9ANPC1ALDH1A1KMT2A
SCHEMBL289881 0.76 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289408 0.74 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289509 0.74 KDM4E (0.55) 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