SCHEMBL23969673

SCHEMBL23969673

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
CES1 P23141 3/20 0.36
CES2 O00748 2/20 0.36
TDP1 Q9NUW8 3/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 2/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 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
SCHEMBL23969709 0.81 ATM (0.35) ATMTDP1MTNR1AMTNR1BGAA
SCHEMBL23969805 0.81 CES1 (0.37) ATMCES1CES2TDP1MTNR1A
SCHEMBL23969741 0.78 AKT1 (0.35) ATMCES1CES2ALDH1A1HPGD
SCHEMBL22037150 0.78 ERCC5 (0.36) GAAALDH1A1HPGDRAB9AMAPK1
SCHEMBL25840238 0.78 ERCC5 (0.36) GAAALDH1A1HPGDRAB9AMAPK1
SCHEMBL10228486 0.73 TDP1 (0.35) CES1CES2TDP1GAANPSR1
SCHEMBL12963614 0.73 TDP1 (0.45) ATMCES1CES2TDP1MTNR1A
SCHEMBL19624772 0.73 AKT1 (0.39) CES1CES2TDP1GAANPSR1
SCHEMBL20305986 0.73 MTNR1A (0.38) ATMCES1CES2TDP1MTNR1A
SCHEMBL13066991 0.72 TDP1 (0.41) CES1CES2TDP1GAANPSR1

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