SCHEMBL8824282

SCHEMBL8824282

COc1ccc(C(O)(c2ccc(C)cc2)c2ccc(C3=NC(C)(C)CO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.36
HTT P42858 2/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8824306 0.95 HRH3 (0.46) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL8824308 0.90 HRH3 (0.43) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL6587925 0.84 HRH3 (0.54) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL8824294 0.83 HRH3 (0.41) HRH3KDM4EMAPTBACE1HTT
SCHEMBL8824283 0.80 KDM4E (0.46) HRH3KDM4EALDH1A1CYP2D6MAPT
SCHEMBL3942245 0.80 KDM4E (0.53) HRH3KDM4EALDH1A1CYP2D6MAPT
SCHEMBL4447566 0.78 KDM4E (0.51) HRH3KDM4EALDH1A1CYP2D6MAPT
SCHEMBL11608427 0.75 ACHE (0.65) NPC1RAB9AKMT2AMAOBALDH1A1
SCHEMBL4149468 0.75 ACHE (0.65) NPC1RAB9AKMT2AMAOBALDH1A1
SCHEMBL471858 0.73 KDM4E (0.60) HRH3KDM4EALDH1A1HPGDCYP2D6

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-5612474-A ANTIBODIES AND IMMUNOLOGY ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed