SCHEMBL4683645

SCHEMBL4683645

O=S1(=O)CCN(CCOC(CCO)N2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4686233 0.79 CYP3A4 (0.34) LMNA
SCHEMBL1718577 0.78 CYP3A4 (0.36) LMNA
SCHEMBL4498845 0.75 DRD3 (0.45)
SCHEMBL5492084 0.72 CNR2 (0.35) HPGD
SCHEMBL9911419 0.72 KDM1A (0.36) RAB9AHPGD
SCHEMBL7065484 0.72 KDM4E (0.36)
SCHEMBL898008 0.70 ALDH1A1 (0.43) RAB9ALMNA
SCHEMBL12550908 0.69 MEN1 (0.34) RAB9AHPGD
SCHEMBL24625517 0.69 HPGD (0.38) HPGD
Hydrochloric Acid SCHEMBL5889035 0.68 ALDH1A1 (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed