SCHEMBL30375962

SCHEMBL30375962

BrCc1ccc2cnn(C3CCCCO3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 5/20 0.38
CYP4A11 Q02928 5/20 0.38
ATR Q13535 7/20 0.35
PIK3CD O00329 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
MET P08581 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7139239 1.00 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2471554 0.90 RXRA (0.64) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL24900268 0.88 RXRA (0.58) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17039301 0.88 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL7132596 0.88 RXRA (0.55) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL22912884 0.84 RXRA (0.73) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL2144301 0.83 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29756229 0.83 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL17034421 0.81 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21786656 0.81 RXRA (0.50) RXRARXRBRXRGALDH1A1LMNA

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-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 EP disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed