SCHEMBL31334558

SCHEMBL31334558

O=C1OCCCN1c1cccc(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
IDH1 O75874 4/20 0.39
PIM1 P11309 4/20 0.39
TYK2 P29597 1/20 0.36
PIK3CA P42336 4/20 0.35
PIK3CD O00329 3/20 0.35
PIK3CB P42338 3/20 0.35
TNKS O95271 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 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
SCHEMBL19994425 1.00 ALOX5 (0.43) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4780 0.91 ALOX5 (0.46) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31333899 0.78 IDH1 (0.37) IDH1PIM1TYK2PIK3CAPIK3CD
SCHEMBL29464219 0.76 PARP1 (0.48) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19994372 0.76 PARP1 (0.48) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31334775 0.75 PARP1 (0.47) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19994341 0.75 PARP1 (0.47) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20502452 0.74 ALOX5 (0.55) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30087931 0.74 ALOX5 (0.55) ALOX5GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31334922 0.73 IDH1 (0.36) IDH1PIM1TYK2PIK3CAPIK3CD

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed