SCHEMBL5499433

SCHEMBL5499433

O=S1(=O)CCN(C[CH]CCCN2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6161463 0.90 CXCR4 (0.39) HPGD
SCHEMBL5622307 0.85 KEAP1 (0.40) HPGDALDH1A1
SCHEMBL5498783 0.78 PAOX (0.41) HPGDNPC1ALDH1A1
SCHEMBL643893 0.75 HRH3 (0.48) CYP1A2ALDH1A1
SCHEMBL806010 0.75 GNAI3 (0.41) HPGDKMT2AMEN1NPC1ALDH1A1
SCHEMBL7225776 0.75 HRH3 (0.54) CYP1A2ALDH1A1
SCHEMBL1097457 0.73 KMT2A (0.37) HPGDKMT2AMEN1CYP1A2CYP2C19
SCHEMBL4526651 0.72 KEAP1 (0.52) HPGDCYP1A2ALDH1A1
SCHEMBL5499197 0.72 CXCR4 (0.48) CYP1A2
SCHEMBL4057851 0.71 KMT2A (0.40) HPGDKMT2AMEN1CYP1A2CYP2C19

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-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed