SCHEMBL6123293

SCHEMBL6123293

NC(=O)OCCCC[C@H](NC(=O)NCc1cccnc1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ RECQL P46063 1/20 0.39
▸ FES P07332 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL6122267 0.86 CTSK (0.47) ALDH1A1ADAM17FESRETMARK3
SCHEMBL29868246 0.86 CTSK (0.47) ALDH1A1ADAM17FESRETMARK3
SCHEMBL16762170 0.86 FES (0.47) ALDH1A1ADAM17FESRETMARK3
SCHEMBL15238633 0.84 ADAM17 (0.41) ALDH1A1ADAM17FESRETMARK3
SCHEMBL28820350 0.84 ADAM17 (0.41) ALDH1A1ADAM17FESRETMARK3
SCHEMBL21715233 0.84 FOLH1 (0.47) ADAM17FESRETMARK3TYK2
Hydrochloric Acid SCHEMBL6121689 0.77 TSHR (0.41) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL6122234 0.76 ALDH1A1 (0.40) ALDH1A1NPC1TP53MAPTCTSK
SCHEMBL16762196 0.75 LMNA (0.50) ALDH1A1RAB9ALMNAMAPTHTT
SCHEMBL6122393 0.75 LMNA (0.52) ALDH1A1RAB9ALMNAMAPTCTSK

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-2640721-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2013-09-25 — — EP claimed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 — — WO claimed
EP-2881393-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 — — EP disclosed
EP-2881392-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 — — EP disclosed
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