SCHEMBL19333096

SCHEMBL19333096

COc1cc(C2CCNc3c2cnn3-c2cccc(F)c2)cc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ SNCA P37840 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ SMO Q99835 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
SCHEMBL8734880 0.83 TP53 (0.52) PKMMAPTKDM4ERECQLTP53
SCHEMBL19333097 0.81 KDM4E (0.43) MAPTKDM4ETP53GAAPOLB
SCHEMBL21767266 0.74 PKM (0.52) PKMMAPTTP53GAAKMT2A
SCHEMBL25492286 0.74 PKM (0.52) SNCAPKMTP53GAAHTT
SCHEMBL19333109 0.70 MEN1 (0.36) MAPTKDM4EGAAPOLBKMT2A
SCHEMBL8736025 0.68 TP53 (0.52) PKMMAPTTP53GAAKMT2A
SCHEMBL8736001 0.65 TP53 (0.56) PKMMAPTKDM4ERECQLTP53
SCHEMBL8736028 0.64 TP53 (0.52) PKMKDM4ETP53GAAKMT2A
SCHEMBL25492198 0.63 GAA (0.47) PKMTP53GAAHTT
SCHEMBL25492175 0.63 GAA (0.47) PKMMAPTTP53GAAHTT

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
US-9757381-B2 Compounds, compositions and methods useful for cholesterol mobilization CERENIS THERAPEUTICS HOLDING SA (FR) 2017-09-12 — — US disclosed
Send feedback