SCHEMBL28819618

SCHEMBL28819618

COc1ccc(OC)c(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
CNR2 P34972 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CTSD P07339 1/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 1/20 0.38

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
SCHEMBL28819518 0.93 POLB (0.47) TP53CNR2POLBKDM4EMAPT
SCHEMBL28819577 0.90 CNR2 (0.43) TP53CNR2POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL4222818 0.89 MCHR1 (0.43) CNR2KDM4E
SCHEMBL28819642 0.88 MCHR1 (0.44) CNR2KDM4E
Hydrochloric Acid SCHEMBL4222816 0.88 MCHR1 (0.42) KDM4E
SCHEMBL28819631 0.86 CNR2 (0.45) TP53CNR2KDM4EMAPTALDH1A1
SCHEMBL28948675 0.86 KDM4E (0.48) TP53KDM4EHSD17B10USP2MAPT
Hydrochloric Acid SCHEMBL4213341 0.85 CNR2 (0.49) TP53CNR2KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL4216436 0.84 MCHR1 (0.46) TP53CNR2MAPTALDH1A1FPR2
SCHEMBL28819721 0.84 KDM4E (0.42) TP53CNR2KDM4EHSD17B10MAPT

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed