SCHEMBL28622872

SCHEMBL28622872

ClCc1ccc2cccc(OCc3ccccc3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
CCR6 P51684 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47

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
SCHEMBL9951205 0.85 HTR1A (0.51) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL9951909 0.85 MEN1 (0.55) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL16132602 0.85 KDM4E (0.54) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL729315 0.82 MEN1 (0.54) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL9951781 0.80 MEN1 (0.55) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL1012890 0.79 NCF1 (0.63) KDM4EMAPTCCR6
SCHEMBL18438857 0.79 MEN1 (0.61) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL3949886 0.79 MEN1 (0.78) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL28284853 0.79 MEN1 (0.59) MEN1KMT2AKDM4EMAPTCCR6
SCHEMBL731221 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPTCCR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185458-B Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2022-12-23 CN claimed
CN-113185458-A Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2021-07-30 CN claimed
CN-113185458-B Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2022-12-23 CN disclosed
CN-113185458-A Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2021-07-30 CN disclosed