SCHEMBL289925

SCHEMBL289925

Cc1nc(-c2ccc(-c3cc4ccccc4s3)nc2)sc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TARBP2 Q15633 2/20 0.45
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 3/20 0.43
KDM1A O60341 1/20 0.43
MAPT P10636 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
CYP19A1 P11511 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL289397 0.86 LMNA (0.54) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL289595 0.86 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL289881 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL290011 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL290470 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL290238 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL290016 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL290152 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL4659871 0.76 KDM1A (0.56) RAB9AKMT2ANPC1KDM1AIKBKB
SCHEMBL290000 0.76 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ERAB9AGAAKMT2A

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