SCHEMBL5213374

SCHEMBL5213374

CCOC(=O)c1[nH]c2ccccc2c1SCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.70
TUBB P07437 7/20 0.70
TUBA3C P0DPH7 7/20 0.70
TUBA1B P68363 7/20 0.70
TUBA4A P68366 7/20 0.70
TUBB4B P68371 7/20 0.70
TUBB3 Q13509 7/20 0.70
TUBB2A Q13885 7/20 0.70
TUBB8 Q3ZCM7 7/20 0.70
TUBA3E Q6PEY2 7/20 0.70
TUBA1A Q71U36 7/20 0.70
TUBA1C Q9BQE3 7/20 0.70
TUBB6 Q9BUF5 7/20 0.70
TUBB2B Q9BVA1 7/20 0.70
TUBB1 Q9H4B7 7/20 0.70
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL5214163 0.85 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7672368 0.83 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5808232 0.82 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7463688 0.80 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7671532 0.78 HTR6 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7381366 0.77 HTR6 (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2880010 0.77 KDM4E (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2354376 0.76 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7672077 0.76 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22802275 0.76 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-6833387-B1 3-substituted indoles; inhibition of monocyte chemoattractant protein-1 and/or RANTES induced chemotaxis; inflammatory diseases ASTRAZENECA AB (SE) 2004-12-21 US disclosed
EP-1173421-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000046199-A2 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed