SCHEMBL4537748

SCHEMBL4537748

OCC(NCc1ccc(Cl)nc1Cl)C1CC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
TRPV3 Q8NET8 6/20 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
SCHEMBL3722644 0.85 TRPV3 (0.40) PDCD1LG2CD274TRPV3
SCHEMBL3710213 0.78 PDCD1LG2 (0.37) PDCD1LG2CD274
SCHEMBL22885900 0.70 PDCD1LG2 (0.37) PDCD1LG2CD274
SCHEMBL3717472 0.66 PDCD1LG2 (0.36) PDCD1LG2CD274
SCHEMBL3741159 0.64 PDCD1LG2 (0.38) PDCD1LG2CD274
SCHEMBL3720284 0.63 PDCD1LG2 (0.34) PDCD1LG2CD274TRPV3
SCHEMBL3719113 0.62 CD274 (0.38) PDCD1LG2CD274
SCHEMBL3724644 0.62 ADORA2B (0.36) PDCD1LG2CD274TRPV3
SCHEMBL844505 0.62 KMT2A (0.31)
SCHEMBL30968506 0.62 KDM4E (0.40)

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed