SCHEMBL28525527

SCHEMBL28525527

CC(C)(C)NC(=O)Oc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD11B1 P28845 2/20 0.38
HSD11B2 P80365 1/20 0.38
DGAT1 O75907 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 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
SCHEMBL27851405 0.83 KDM4E (0.51) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL17674285 0.82 KDM4E (0.45) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL29855946 0.82 KDM4E (0.45) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL27697913 0.81 GAA (0.35) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL27603373 0.81 CCNE1 (0.37) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL27841724 0.80 ACACB (0.34) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL27796858 0.79 CCNE1 (0.37) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL176060 0.78 LOXL2 (0.37) KDM4ERAB9ANPC1SMN1; SMN2TSHR
SCHEMBL28579573 0.78 GAA (0.36) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL27911742 0.78 ACACB (0.40) HSD11B1GAA

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-112384517-A Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2021-02-19 CN disclosed