SCHEMBL7036534

SCHEMBL7036534

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ IMPDH2 P12268 2/20 0.44
▸ IMPDH1 P20839 2/20 0.44
▸ HINT1 P49773 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ INMT O95050 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CCKAR P32238 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41

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
SCHEMBL7039480 0.89 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31533316 0.89 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31533317 0.81 RXFP1 (0.53) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7031903 0.80 LMNA (0.41) RXFP1TP53P2RX3P2RX4
SCHEMBL7037427 0.78 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7037167 0.75 RXFP1 (0.56) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31659112 0.73 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30239003 0.73 RXFP1 (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18314784 0.72 PI4KA (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30238879 0.72 RXFP1 (0.51) 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
Send feedback