SCHEMBL29463498

SCHEMBL29463498

N#Cc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.56
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
P4HB P07237 8/20 0.49
ALDH1A1 P00352 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
FFAR1 O14842 1/20 0.44
UNG P13051 1/20 0.44
ENPP2 Q13822 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL67236 1.00 FBP1 (0.56) FBP1GRIN2DGRIN3BGRIN1GRIN2A
Cyclopropane SCHEMBL29130088 0.94 FBP1 (0.51) FBP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18002842 0.92 FBP1 (0.58) FBP1GRIN2DGRIN3BGRIN1GRIN2A
Ethylene Glycol SCHEMBL28844357 0.91 FBP1 (0.53) FBP1GRIN2DGRIN3BGRIN1GRIN2A
Propionaldehyde SCHEMBL28092395 0.89 PDCD1 (0.49) FBP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8704159 0.89 ALDH1A1 (0.69) FBP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15821011 0.88 TRIM24 (0.49) FBP1ALDH1A1MAOB
SCHEMBL9190941 0.87 FBP1 (0.57) FBP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6153715 0.84 SRC (0.46) FBP1P4HBALDH1A1MAOAMAOB
SCHEMBL28265256 0.83 FBP1 (0.53) FBP1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 WO disclosed
EP-4370578-A1 ACCELERATOR FOR EPOXY RESINS Sika Technology AG (CH) 2024-05-22 EP disclosed
EP-4237086-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-09-06 EP disclosed
WO-2023285188-A1 ACCELERATOR FOR EPOXY RESINS SIKA TECHNOLOGY AG (CH) 2023-01-19 WO disclosed
EP-4003985-A1 MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2022-06-01 EP disclosed
WO-2022093856-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-05-05 WO disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed