SCHEMBL28147295

SCHEMBL28147295

O=C(O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
MAPT P10636 3/20 0.78
PKM P14618 3/20 0.78
HTT P42858 1/20 0.78
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.50
MYC P01106 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL27842098 0.84 ALDH1A1 (0.58) ALDH1A1MAPTPKMHTTMEN1
SCHEMBL11310071 0.79 MAPT (0.52) ALDH1A1MAPTPKMHTTMEN1
SCHEMBL438258 0.77 ALDH1A1 (0.62) ALDH1A1MAPTPKMHTTMEN1
SCHEMBL27645641 0.77 ALDH1A1 (0.54) ALDH1A1MAPTPKMHTTMEN1
SCHEMBL22991702 0.76 MEN1 (0.52) ALDH1A1MAPTPKMHTTMEN1
Terephthalic Acid SCHEMBL340493 0.76 TSHR (0.72) MAPTTP53TSHRCA12CA1
Terephthalic Acid SCHEMBL251149 0.76 TSHR (0.72) MAPTTP53TSHRCA12CA1
SCHEMBL7155730 0.74 EGFR (0.72) MAPTTP53TSHRDAONAPRT
SCHEMBL38562 0.74 EGFR (0.72) MAPTTP53TSHRDAONAPRT
Biphenyl SCHEMBL5186249 0.74 EGFR (0.72) MAPTTP53TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111979602-A Fluorescent PET (polyethylene terephthalate) fiber for detecting organic solvent gas and preparation method thereof 上海东华镜月资产经营有限公司 2020-11-24 CN disclosed
CN-106632088-B A kind of aggregation-induced emission probe and its preparation method and application based on quianzolinones 华南理工大学 2019-04-19 CN disclosed
CN-106929002-A Hydrazine and amine substance gas detection fluorescence probe and preparation method thereof 北京知元科技有限公司 2017-07-07 CN disclosed
CN-106632088-A Aggregation-induced emission probe based on quinazolinones compound as well as preparation method and application of aggregation-induced emission probe 华南理工大学 2017-05-10 CN disclosed