SCHEMBL5743562

SCHEMBL5743562

COC(=O)c1ccc(N(C)CC(OC)OC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDK2 Q15119 2/20 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
SCHEMBL14337884 0.84 KMT2A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27413839 0.80 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1110874 0.79 NQO2 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27707339 0.76 ABL1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27688093 0.75 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1020557 0.73 KMT2A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1016374 0.73 RAB9A (0.51) ALDH1A1TSHRKMT2ALMNAMEN1
SCHEMBL7689229 0.71 RAB9A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20077147 0.71 ABL1 (0.49) ABL1ALDH1A1PDK2KMT2AKDM4E
SCHEMBL3813462 0.71 ABL1 (0.40) ABL1ALDH1A1TSHRPDK2CYP3A4

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-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — WO disclosed
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