SCHEMBL25148779

SCHEMBL25148779

O=C(O)c1ccc(-c2ccccc2CCc2ccccc2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM5B Q9UGL1 5/20 0.47
KDM6B O15054 4/20 0.47
KDM4A O75164 4/20 0.47
KDM4D Q6B0I6 4/20 0.47
HIF1AN Q9NWT6 4/20 0.47
KDM2A Q9Y2K7 4/20 0.47
KDM3B Q7LBC6 3/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
DAO P14920 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRS3 P32247 4/20 0.41
ADRB2 P07550 1/20 0.40
RNASEH1 O60930 1/20 0.40
IDO1 P14902 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40

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
SCHEMBL4428193 0.76 DAO (0.54) KDM4EKDM5BKDM6BKDM4AKDM4D
SCHEMBL25149517 0.76 LMNA (0.47) KDM4ENR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL9754384 0.75 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL7276461 0.75 KDM4E (0.63) KDM4EKDM5BALDH1A1SMN1; SMN2GAA
SCHEMBL4074628 0.72 KDM4E (1.00) KDM4EKDM5BKDM4AALDH1A1SMN1; SMN2
SCHEMBL4430762 0.72 FOLH1 (0.55) KDM4ENR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL166927 0.71 FOLH1 (0.66) KDM4EALDH1A1SMN1; SMN2ADRB2LMNA
SCHEMBL29975597 0.71 FOLH1 (0.66) KDM4EALDH1A1SMN1; SMN2ADRB2LMNA
Phthalic Acid SCHEMBL4430760 0.71 ALDH1A1 (0.70) KDM4EDAOALDH1A1SMN1; SMN2ADRB2
SCHEMBL11536638 0.70 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2GAARXFP1

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-2023062575-A1 CYCLIC VINYL SULFONE COMPOUNDS AS WRN INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-20 WO disclosed