SCHEMBL29139801

SCHEMBL29139801

COc1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
MAPT P10636 7/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NQO2 P16083 1/20 0.43
BCHE P06276 1/20 0.42
TYR P14679 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13649911 0.84 SLC2A1 (0.46) SLC2A1MAPTTYRKDM4ETP53
SCHEMBL29139800 0.84 MAPT (0.46) SLC2A1MAPTCRHBPCRHR2NQO2
SCHEMBL30326824 0.83 SLC2A1 (0.66) SLC2A1MAPTKDM4ETP53TSHR
SCHEMBL9658187 0.83 SLC2A1 (0.62) SLC2A1MAPTCRHBPCRHR2NQO2
SCHEMBL30327071 0.81 ALDH1A1 (0.45) SLC2A1MAPTKDM4ETSHRHSD17B10
SCHEMBL6559034 0.80 SLC2A1 (0.58) SLC2A1MAPTNQO2KDM4ETP53
SCHEMBL30326776 0.80 UGT2B7 (0.42) SLC2A1MAPTKDM4ETDP1MEN1
SCHEMBL30326928 0.77 MEN1 (0.43) SLC2A1MAPTKDM4ETSHRTDP1
SCHEMBL30326952 0.77 POLB (0.41) SLC2A1MAPTKDM4ETP53TSHR
SCHEMBL30327039 0.77 KMT2A (0.43) SLC2A1MAPTKDM4ETP53TSHR

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-111484420-B Method for synthesizing triarylmethane derivative and triarylmethane derivative obtained by same 天津师范大学 2023-04-04 CN disclosed
CN-111484419-B Method for synthesizing triarylmethane derivative 天津师范大学 2023-03-31 CN disclosed