SCHEMBL476241

SCHEMBL476241

COc1c(C(=O)O)sc(-c2ccccc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MDM2 Q00987 2/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
ACLY P53396 1/20 0.39

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
SCHEMBL2682815 0.89 TP53 (0.48) TP53MDM2SLC6A4SLC6A3TUBB4A
SCHEMBL476369 0.88 SRD5A2 (0.45) TP53MDM2ACLYKDM4ENPC1
SCHEMBL476323 0.82 KDM4E (0.39) TP53MDM2GRIA2GRIA4KDM4E
SCHEMBL476338 0.80 PTPN1 (0.47) TP53TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2683604 0.78 SLC6A3 (0.49) TP53MDM2SLC6A4SLC6A3KDM4E
SCHEMBL2682560 0.77 TP53 (0.48) TP53MDM2SLC6A4SLC6A3KDM4E
SCHEMBL476406 0.73 MEN1 (0.44) NPC1RAB9ASMN1; SMN2PTPN1KMT2A
SCHEMBL1847221 0.72 OPRD1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3549304 0.71 SRD5A2 (0.45) TP53KDM4ENPC1POLBRAB9A
SCHEMBL476185 0.70 PTPN1 (0.44) KDM4EPTPN1ALDH1A1MAPT

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-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed