SCHEMBL7104843

SCHEMBL7104843

C[C@H]1O[C@@H](N2CN(S(=O)(=O)NC(=O)[C@@H](N)Cc3ccccc3)c3c(N)ncnc32)C(O)C1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.40
ADK P55263 8/20 0.39
AKT1 P31749 2/20 0.38
NPEPPS P55786 1/20 0.37
LARS1 Q9P2J5 1/20 0.34
SARS1 P49591 1/20 0.34

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
SCHEMBL7107353 0.89 ADK (0.41) ADK
SCHEMBL7110520 0.88 SARS1 (0.43) ADKLARS1SARS1
SCHEMBL6510822 0.74 IARS1 (0.51)
SCHEMBL2291125 0.67 ADK (0.36) ADKAKT1
SCHEMBL10005056 0.66 HSPA8 (0.41) ADK
SCHEMBL31533322 0.66 DOT1L (0.71) DOT1LLARS1SARS1
SCHEMBL7665106 0.66 HSPA8 (0.40) NPEPPS
SCHEMBL11165275 0.65 HSPA8 (0.38) ADK
Phesa SCHEMBL3499221 0.64 SARS1 (0.80) LARS1SARS1
Phesa SCHEMBL3499217 0.64 SARS1 (0.80) LARS1SARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991412-B1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2003-03-12 EP claimed
US-5824657-A ANTICARCINOGENIC AGENTS, SKIN DISORDERS AND PSORIASIS CUBIST PHARMACEUTICALS, INC. (US) 1998-10-20 US claimed
EP-0991412-B1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2003-03-12 EP disclosed
EP-0991412-B1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2003-03-12 EP disclosed
EP-0991412-A4 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2000-06-21 EP disclosed
EP-0991412-A1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Cubist Pharmaceuticals, Inc. (US) 2000-04-12 EP disclosed
US-5824657-A ANTICARCINOGENIC AGENTS, SKIN DISORDERS AND PSORIASIS CUBIST PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
US-5824657-A ANTICARCINOGENIC AGENTS, SKIN DISORDERS AND PSORIASIS CUBIST PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
WO-1998041215-A1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARMACEUTICALS, INC. (US) 1998-09-24 WO disclosed