SCHEMBL29445501

SCHEMBL29445501

Nc1cc(F)cnc1N1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SCN10A Q9Y5Y9 10/20 0.35
SIGMAR1 Q99720 1/20 0.34
FFAR2 O15552 3/20 0.34
GAK O14976 1/20 0.34
FLT3 P36888 1/20 0.34
GRIA1 P42261 1/20 0.34
NR1I2 O75469 1/20 0.34
CACNA1C Q13936 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL28482346 1.00 PIK3CA (0.37) PIK3CAMTORSCN10ASIGMAR1FFAR2
SCHEMBL22587525 0.81 ALDH1A1 (0.49)
SCHEMBL23623071 0.77 PIK3CA (0.37) PIK3CAMTORSCN10ASIGMAR1FFAR2
SCHEMBL3435696 0.76 OPRK1 (0.42) SCN10A
SCHEMBL22587574 0.75 ALDH1A1 (0.51) SCN10A
SCHEMBL22803865 0.73 TRPV1 (0.42) PIK3CAMTORSCN10ASIGMAR1FFAR2
SCHEMBL30412557 0.73 TRPV1 (0.42) PIK3CAMTORSCN10ASIGMAR1FFAR2
SCHEMBL23166934 0.73 SMN1; SMN2 (0.42) PIK3CAMTORSCN10A
SCHEMBL22597907 0.72 GRIN2D (0.51) SCN10AFFAR2
SCHEMBL16702878 0.72 FLT3 (0.37) PIK3CAMTORFFAR2GAKFLT3

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
CN-111848591-B HDAC inhibitors and methods of making and using the same 成都先导药物开发股份有限公司 2022-03-18 CN disclosed