SCHEMBL13318839

SCHEMBL13318839

Nc1cc2[nH]nnc2cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 4/20 0.39
▸ AR P10275 3/20 0.33
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL2596070 0.76 MAPT (0.35) —
SCHEMBL21314035 0.75 CACNA1H (0.36) CACNA1HCACNA1GCACNA1CNOTUM
SCHEMBL1019887 0.75 CACNA1H (0.36) CACNA1HARCACNA1GCACNA1CNOTUM
SCHEMBL13318836 0.75 CACNA1H (0.33) CACNA1HCACNA1GCACNA1C
SCHEMBL3728117 0.72 CA12 (0.42) ARPARP1
SCHEMBL12180644 0.72 MAPT (0.35) —
SCHEMBL22793187 0.71 CYP3A4 (0.33) CACNA1H
SCHEMBL21314145 0.70 ASPH (0.44) CACNA1HNOTUM
SCHEMBL1021802 0.69 TERT (0.47) —
SCHEMBL2705071 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 — — US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 — — US disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 — — EP disclosed
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