SCHEMBL5258334

SCHEMBL5258334

COC(=O)[C@H](Cc1ccc(Nc2nccc3cnccc23)cc1)NS(=O)(=O)N1C(C)CCCC1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
P2RX3 P56373 10/20 0.35
P2RX7 Q99572 4/20 0.34
EGFR P00533 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32

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
SCHEMBL5227174 0.93 NAMPT (0.37) NAMPTP2RX3P2RX7ALDH1A1TP53
SCHEMBL5255103 0.86 P2RX7 (0.37) P2RX7ALDH1A1TP53SMN1; SMN2F2
SCHEMBL5255316 0.83 LCK (0.37) P2RX3P2RX7SMN1; SMN2F2PRSS1
SCHEMBL5259962 0.81 CA12 (0.35) P2RX7EGFRALDH1A1
SCHEMBL5257897 0.81 CA12 (0.36) P2RX3P2RX7EGFRALDH1A1
SCHEMBL5225880 0.79 P2RX7 (0.38) P2RX7ALDH1A1TP53SMN1; SMN2F2
SCHEMBL5258338 0.79 NAMPT (0.37) NAMPTALDH1A1TP53SMN1; SMN2
SCHEMBL5255283 0.79 CA12 (0.37) P2RX3P2RX7EGFRALDH1A1
SCHEMBL5262133 0.75 CIT (0.39) EGFRALDH1A1
SCHEMBL5262134 0.75 CIT (0.39) EGFRALDH1A1

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-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP claimed