SCHEMBL23969741

SCHEMBL23969741

C=C/C(=C\C=C(/NC)c1ccccc1)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 2/20 0.30
CYP19A1 P11511 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL23969673 0.78 ATM (0.37) ATMALDH1A1CES2CES1HPGD
SCHEMBL19624772 0.77 AKT1 (0.39) AKT1ALDH1A1CES2CES1HPGD
SCHEMBL20305986 0.70 MTNR1A (0.38) ATMALDH1A1CES2CES1HPGD
SCHEMBL12963614 0.70 TDP1 (0.45) AKT1ATMALDH1A1CES2CES1
SCHEMBL10228486 0.70 TDP1 (0.35) ALDH1A1CES2CES1HPGD
SCHEMBL13066991 0.68 TDP1 (0.41) AKT1ALDH1A1CES2CES1HPGD
SCHEMBL23969709 0.68 ATM (0.35) ATMALDH1A1HPGDRAB9ALMNA
SCHEMBL23193036 0.66 NFE2L2 (0.38) AKT1ATMALDH1A1LMNA
SCHEMBL18173259 0.66 LMNA (0.47) ALDH1A1LMNA
SCHEMBL2875060 0.66 LMNA (0.47) ALDH1A1LMNA

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
EP-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed