SCHEMBL7037167

SCHEMBL7037167

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CNS(=O)(=O)NC(=O)OCc1ccccc1)O[C@H]2n1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.56
▸ PI4KA P42356 1/20 0.56
▸ PI4K2B Q8TCG2 1/20 0.56
▸ PI4K2A Q9BTU6 1/20 0.56
▸ PI4KB Q9UBF8 1/20 0.56
▸ DOT1L Q8TEK3 3/20 0.55
▸ AHCY P23526 1/20 0.51
▸ P2RX1 P51575 1/20 0.51
▸ P2RX3 P56373 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ AMD1 P17707 2/20 0.47
▸ P2RY12 Q9H244 1/20 0.47

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
SCHEMBL7037427 0.90 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970273 0.86 DOT1L (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970168 0.86 DOT1L (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2288521 0.84 RXFP1 (0.58) RXFP1
SCHEMBL31533316 0.83 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31659112 0.83 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7039480 0.83 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970202 0.81 DOT1L (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15829716 0.81 DOT1L (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9970625 0.81 DOT1L (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB

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
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