SCHEMBL27369627

SCHEMBL27369627

CCO/N=C(/CC)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
DRD4 P21917 11/20 0.52
DRD2 P14416 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.44
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18598370 1.00 ATM (0.61) ATMDRD4DRD2LMNAHTT
SCHEMBL7454696 0.86 DRD4 (0.51) ATMDRD4DRD2LMNAHTT
SCHEMBL26021646 0.85 DRD4 (0.50) ATMDRD4DRD2LMNAHTT
SCHEMBL18193569 0.85 ATM (0.57) ATMDRD4LMNAHTTMAPK1
SCHEMBL18193570 0.85 ATM (0.57) ATMDRD4LMNAHTTMAPK1
SCHEMBL18193576 0.84 ATM (0.52) ATMDRD4DRD2LMNAHTT
SCHEMBL18193568 0.84 ATM (0.52) ATMDRD4DRD2LMNAHTT
SCHEMBL17233347 0.82 ESR1 (0.47) ATMDRD4DRD2LMNAMAPK1
SCHEMBL17233213 0.82 MAPT (0.49) ATMDRD4LMNAL3MBTL1PPARA
SCHEMBL8459687 0.82 ATM (0.63) ATMDRD4DRD2LMNAHTT

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-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed