SCHEMBL7110520

SCHEMBL7110520

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SARS1 P49591 3/20 0.43
ADK P55263 6/20 0.38
HSPA8 P11142 1/20 0.38
LARS1 Q9P2J5 1/20 0.37
MARS1 P56192 2/20 0.36
FBP1 P09467 1/20 0.36
QARS1 P47897 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
SCHEMBL7104843 0.88 DOT1L (0.40) SARS1ADKLARS1
SCHEMBL6510822 0.79 IARS1 (0.51) HSPA8
SCHEMBL7107353 0.78 ADK (0.41) ADK
SCHEMBL4299948 0.71 ADK (0.43) ADKHSPA8FBP1
SCHEMBL10005056 0.70 HSPA8 (0.41) ADKHSPA8FBP1
SCHEMBL11043640 0.69 HSPA8 (0.39) ADKHSPA8FBP1
SCHEMBL11165275 0.68 HSPA8 (0.38) ADKHSPA8FBP1
SCHEMBL11310700 0.67 HSPA8 (0.36) ADKHSPA8FBP1
SCHEMBL11041141 0.67 HSPA8 (0.37) ADKHSPA8FBP1
SCHEMBL11042514 0.66 HSPA8 (0.37) ADKHSPA8FBP1

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 2 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 disclosed
US-5824657-A ANTICARCINOGENIC AGENTS, SKIN DISORDERS AND PSORIASIS CUBIST PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed