SCHEMBL12072835

SCHEMBL12072835

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nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL16168241 0.80 MME (0.39) —
SCHEMBL15866437 0.78 PAX8 (0.35) PDCD1LG2CD274PAX8
SCHEMBL17993335 0.77 NMT1 (0.41) —
SCHEMBL16024777 0.77 TASP1 (0.40) ECE1
SCHEMBL16168238 0.75 CASP1 (0.40) —
SCHEMBL25556572 0.73 ECE1 (0.33) ECE1PAX8
SCHEMBL8229032 0.73 ECE1 (0.40) ECE1PDCD1LG2CD274
SCHEMBL25556364 0.73 ECE1 (0.40) ECE1PDCD1LG2CD274
SCHEMBL24115245 0.73 — —
SCHEMBL12900692 0.73 — —

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
WO-2011161699-A2 IMMUNOSUPPRESSION MODULATING COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2011-12-29 — — WO disclosed
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