SCHEMBL486050

SCHEMBL486050

CCCCn1ncc(I)c1-c1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.33
PTGIR P43119 2/20 0.32
SLC9A1 P19634 1/20 0.31
CACNA1H O95180 1/20 0.31
GRIN2B Q13224 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
SCHEMBL486446 0.74 PSEN1 (0.31)
SCHEMBL486116 0.70 FFAR1 (0.31)
SCHEMBL26388359 0.61
SCHEMBL8765559 0.61 PTGIR (0.68) PTGIRSLC9A1
SCHEMBL16963414 0.61 SLC9A1 (0.36) SLC9A1
SCHEMBL27910677 0.59 POLB (0.50) TOP2ASLC9A1
SCHEMBL20020325 0.59 POLB (0.42) TOP2ASLC9A1
SCHEMBL16862907 0.57 TOP2A (0.42) TOP2ASLC9A1GRIN2B
SCHEMBL27942309 0.57 SLC9A1 (0.40) SLC9A1
SCHEMBL5387962 0.57 SLC9A1 (0.36) TOP2ASLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411388-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2012-02-01 EP disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed