SCHEMBL28660772

SCHEMBL28660772

COC(=O)c1ccccc1Nc1cccc(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
ALOX15 P16050 1/20 0.69
ALOX5 P09917 1/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
SIRT2 Q8IXJ6 6/20 0.50
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.49
CXCR2 P25025 1/20 0.48
P2RX1 P51575 1/20 0.48
SIRT1 Q96EB6 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
PTGS2 P35354 1/20 0.46

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
SCHEMBL15397408 0.85 AKR1C3 (0.51) MAPTALOX15ALOX5ALDH1A1GAA
SCHEMBL7852387 0.84 MAPT (0.71) MAPTALOX15KDM4EPOLBATM
SCHEMBL8025393 0.84 MAPT (0.71) MAPTALOX15KDM4EPOLBATM
SCHEMBL902692 0.83 AKR1C3 (0.64) MAPTALOX15KMT2ASMN1; SMN2MEN1
SCHEMBL384593 0.83 FABP4 (0.65) ALDH1A1RAB9ANPC1SIRT2P2RX1
SCHEMBL17617073 0.83 MAPT (0.76) MAPTALOX15KDM4EPOLBATM
SCHEMBL31914 0.82 MAPT (1.00) MAPTALOX15KDM4EPOLBATM
SCHEMBL28665583 0.82 MAPT (0.69) MAPTALOX15ALOX5KDM4EPOLB
SCHEMBL28672723 0.82 MAPT (0.69) MAPTALOX15ALOX5KDM4EPOLB
SCHEMBL22453219 0.81 MAPT (0.72) 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