SCHEMBL7990561

SCHEMBL7990561

OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.68
▸ SLC29A1 Q99808 2/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ GLA P06280 1/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ NPY1R P25929 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ NPY2R P49146 1/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ NFKB1 P19838 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ THPO P40225 1/20 0.68
▸ ADK P55263 1/20 0.68
▸ HIF1A Q16665 1/20 0.61

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
SCHEMBL8826218 0.89 LMNA (0.64) LMNASLC29A1ALDH1A1GLAPMP22
SCHEMBL18486201 0.89 SLC29A1 (0.57) LMNASLC29A1ALDH1A1GLAPMP22
SCHEMBL18862688 0.88 HIF1A (0.56) LMNASLC29A1ALDH1A1GLAPMP22
SCHEMBL22349482 0.88 HIF1A (0.56) LMNASLC29A1ALDH1A1GLAPMP22
SCHEMBL23982135 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL2288114 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL21011278 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL2288108 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL14873532 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL23982158 0.86 SLC29A1 (0.76) SLC29A1SMN1; SMN2NPC1RAB9AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1998041215-A1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARMACEUTICALS, INC. (US) 1998-09-24 — — WO disclosed
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