SCHEMBL4443465

SCHEMBL4443465

[2H]N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
TDP2 O95551 2/20 0.43
NEK2 P51955 1/20 0.39
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.35
KIF11 P52732 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
NOTUM Q6P988 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL4229154 0.89 POLB (0.46) POLBTSHRTDP2NEK2RAB9A
SCHEMBL953438 0.86 POLB (0.69) POLBTSHRTDP2NEK2RAB9A
SCHEMBL950042 0.85 POLB (0.71) POLBTSHRTDP2NEK2RAB9A
SCHEMBL950407 0.83 TDP2 (0.39) POLBTSHRTDP2NEK2KIF11
SCHEMBL951763 0.71 POLB (0.46) POLBTSHRTDP2NEK2RAB9A
SCHEMBL4599178 0.71 POLB (0.46) POLBTSHRTDP2NEK2RAB9A
SCHEMBL950279 0.69 POLB (0.64) POLBTSHRNEK2RAB9AKMT2A
SCHEMBL15943169 0.69 NEK2 (0.51) POLBTSHRNEK2
SCHEMBL15943284 0.69 POLB (0.49) POLBTSHRNEK2
SCHEMBL951124 0.67 TSHR (0.72) POLBTSHRNEK2RAB9AKMT2A

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-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed