SCHEMBL27447490

SCHEMBL27447490

N#Cc1ccc2cc(CN)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.53
DRD2 P14416 6/20 0.51
DRD4 P21917 6/20 0.51
DRD3 P35462 6/20 0.51
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
ITK Q08881 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PIN1 Q13526 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38

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
SCHEMBL31663252 0.83 DRD2 (0.51) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL7503276 0.83 DRD2 (0.51) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL9056119 0.83 DRD2 (0.51) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL7442607 0.83 DRD2 (0.51) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL23458882 0.80 DRD2 (0.49) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL29919242 0.80 DRD2 (0.49) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL6238686 0.78 DRD2 (0.50) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL31017907 0.77 LOXL2 (0.73) LOXL2ITK
Bromide SCHEMBL7386050 0.73 DRD2 (0.52) DRD2DRD4DRD3IMPDH2IMPDH1
SCHEMBL30920844 0.73 LOXL2 (0.58) LOXL2ITKNOS1METAP2

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-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed