SCHEMBL21939601

SCHEMBL21939601

C=C(C)N1C(=O)Nc2ccc(Cl)cc2C1(C)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
AKR1B1 P15121 3/20 0.38
HTR6 P50406 1/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 2/20 0.34
TDO2 P48775 1/20 0.34
TGM2 P21980 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8471852 0.70 PDE7A (0.48) IDO1AKR1B1HTR6PSEN1PSEN2
SCHEMBL1408090 0.70 PDE7A (0.48) IDO1AKR1B1HTR6PSEN1PSEN2
SCHEMBL6853483 0.70 PDE7A (0.48) IDO1AKR1B1HTR6PSEN1PSEN2
SCHEMBL5479245 0.69 CHRM2 (0.62) IDO1AKR1B1HTR6PSEN1PSEN2
SCHEMBL21939397 0.66 AKR1B1 (0.41) IDO1AKR1B1HTR6MEN1KMT2A
SCHEMBL1722012 0.61 PGR (0.69) IDO1AKR1B1MEN1KMT2APGR
SCHEMBL29025690 0.60 PGR (0.49) IDO1AKR1B1MEN1KMT2APGR
SCHEMBL9541565 0.60 AKR1B1 (0.51) IDO1AKR1B1MEN1KMT2A
SCHEMBL9541587 0.60 PGR (0.45) AKR1B1PGR
SCHEMBL9540073 0.58 MEN1 (0.45) IDO1AKR1B1MEN1KMT2APGR

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-3099303-B1 TREATMENT OF DEGENERATIONS AND LIGHT-INDUCED DAMAGE TO THE RETINA BIOCODEX (FR) 2020-04-08 EP disclosed