SCHEMBL289404

SCHEMBL289404

Cc1ccc(-c2ccc(-c3cc4ccccc4s3)s2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
BCL2L1 Q07817 1/20 0.47
ERN1 O75460 1/20 0.46
APP P05067 2/20 0.44
HDAC2 Q92769 1/20 0.43
S1PR1 P21453 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
IKBKB O14920 1/20 0.38
TNFRSF1A P19438 1/20 0.38

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
SCHEMBL289667 0.84 JAK2 (0.49) ACLYERN1APP
SCHEMBL5380301 0.76 POLB (0.56) ACLYCA1CA2CA9HSD17B1
SCHEMBL19196228 0.76
SCHEMBL5148513 0.73 APP (0.57) CA1CA2CA9CA12BCL2L1
SCHEMBL27651550 0.73 APP (0.57) CA1CA2CA9CA12BCL2L1
SCHEMBL6412727 0.73 BCL2L1 (0.64) CA1CA2CA9CA12CA4
SCHEMBL290238 0.72 SMN1; SMN2 (0.56) CA1CA2CA9CA12CA4
SCHEMBL15025442 0.71 CA1 (0.60) ACLYCA1CA2CA9CA12
SCHEMBL13302178 0.71 GRIN2D (0.49) ACLYCA1CA2CA9CA12
SCHEMBL10024279 0.70 MCL1 (0.63) IKBKB

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 3 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
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