SCHEMBL23969709

SCHEMBL23969709

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
TRPA1 O75762 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
RGS12 O14924 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 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
SCHEMBL23969673 0.81 ATM (0.37) ATMTDP1SMN1; SMN2KDM4EMAPT
SCHEMBL19624772 0.70 AKT1 (0.39) TDP1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL10228486 0.70 TDP1 (0.35) TDP1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL12963614 0.70 TDP1 (0.45) ATMTDP1SMN1; SMN2KDM4EMAPT
SCHEMBL13066991 0.68 TDP1 (0.41) TDP1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL1848482 0.68 TSHR (0.42) ATMTDP1SMN1; SMN2KDM4EMAPT
SCHEMBL23480027 0.68 MEN1 (0.50) TDP1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL24775105 0.68 ALDH1A1 (0.38) ATMSMN1; SMN2RAB9ALMNAHPGD
SCHEMBL23969741 0.68 AKT1 (0.35) ATMRAB9ALMNAHPGDALDH1A1
SCHEMBL1537422 0.67 MAPT (0.40) ATMTDP1SMN1; SMN2KDM4EMAPT

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