SCHEMBL28494012

SCHEMBL28494012

COC(=O)c1cccc2c1CCN2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
MGLL Q99685 1/20 0.44
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CFTR P13569 1/20 0.41
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
TRPA1 O75762 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL28834876 0.82 NOTUM (0.65) MYCNOTUMLMNATSHRKDM4E
SCHEMBL28321947 0.81 NOTUM (0.49) MYCNOTUMLMNATSHRKDM4E
SCHEMBL16684830 0.80 KDM4E (0.41) MYCNOTUMLMNAKDM4EALDH1A1
SCHEMBL26358051 0.80 MYC (0.42) MYCNOTUMLMNATSHRKDM4E
SCHEMBL14886462 0.79 MYC (0.41) MYCNOTUMLMNAKDM4EALDH1A1
SCHEMBL16685146 0.78 KDM4E (0.43) MYCNOTUMKDM4EALDH1A1HSD17B10
SCHEMBL14886598 0.78 MYC (0.39) MYCNOTUMKDM4EPOLBATM
SCHEMBL16685130 0.77 KDM4E (0.45) MYCNOTUMKDM4EALDH1A1HSD17B10
SCHEMBL13041773 0.77 WDR91 (0.46) MYCNOTUMALDH1A1POLB
SCHEMBL9680047 0.77 MGLL (0.48) MYCMGLLNOTUMALDH1A1SMN1; SMN2

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-111909074-A Method for preparing indole compound by air oxidation catalyzed by N-hydroxyphthalimide 宁波大学 2020-11-10 CN disclosed