SCHEMBL28575804

SCHEMBL28575804

COc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.74
ALDH1A1 P00352 8/20 0.74
HPGD P15428 5/20 0.74
KMT2A Q03164 8/20 0.70
MAPT P10636 6/20 0.70
MEN1 O00255 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
DHODH Q02127 1/20 0.68
LMNA P02545 3/20 0.68
POLB P06746 2/20 0.68
GAA P10253 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HTT P42858 1/20 0.65
RAB9A P51151 1/20 0.65
PTGER4 P35408 2/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62

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
SCHEMBL19219784 0.93 KDM4E (0.75) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL15506192 0.85 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL28914302 0.82 KDM4E (0.80) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL42477 0.81 DHODH (0.81) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL29788461 0.81 DHODH (0.81) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL28574876 0.81 MEN1 (0.75) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL12273377 0.80 DHODH (0.80) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL8614842 0.80 DHODH (0.72) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL2283172 0.80 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL28572974 0.80 KDM4E (0.80) KDM4EALDH1A1HPGDKMT2AMAPT

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-112920115-A Quinoline-4-formamide skeleton derivative and application thereof 四川大学 2021-06-08 CN disclosed