SCHEMBL28660739

SCHEMBL28660739

COC(=O)c1ccccc1Nc1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ALOX15 P16050 1/20 0.65
KDM4E B2RXH2 4/20 0.61
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
KMT2A Q03164 1/20 0.56
TSHR P16473 7/20 0.54
HSD17B10 Q99714 4/20 0.54
GAA P10253 2/20 0.54
MAPK1 P28482 2/20 0.54
GLA P06280 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL19065779 0.89 MAPT (0.79) MAPTALOX15KDM4EPOLBATM
SCHEMBL8834146 0.88 KDM4E (0.50) MAPTALOX15KDM4EPOLBATM
SCHEMBL7331180 0.83 GAA (0.63) MAPTALOX15KDM4EPOLBATM
SCHEMBL7034926 0.82 MAPT (0.74) MAPTALOX15KDM4EPOLBATM
SCHEMBL15528435 0.81 TSHR (0.69) MAPTALOX15KDM4EPOLBATM
SCHEMBL63699 0.81 TSHR (0.61) MAPTALOX15KDM4EPOLBATM
SCHEMBL17145917 0.81 MAPT (0.67) MAPTALOX15KDM4EPOLBATM
SCHEMBL8128228 0.81 KDM4E (0.68) MAPTALOX15KDM4EPOLBATM
SCHEMBL30294456 0.81 MAPT (0.67) MAPTALOX15KDM4EPOLBATM
SCHEMBL13224505 0.80 MAPT (0.89) MAPTALOX15KDM4EPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113768936-B Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2023-04-14 CN disclosed
CN-113768936-A Application of evodiamine derivative in preparation of medicine for treating superficial fungal infection 南华大学 2021-12-10 CN disclosed