SCHEMBL28110451

SCHEMBL28110451

O=C(OCc1ccccc1)C1NC=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX4 Q99571 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
GLA P06280 1/20 0.38
IDO1 P14902 1/20 0.38
HTR2C P28335 1/20 0.37

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
SCHEMBL28328860 0.78 CES1 (0.39) ALDH1A1KMT2AMAPK1L3MBTL1TSHR
SCHEMBL27999526 0.77 TSHR (0.40) ALDH1A1TSHR
SCHEMBL27581285 0.77 FABP7 (0.47) FABP7FABP5P2RX4ALDH1A1KMT2A
SCHEMBL28253699 0.75 ATM (0.36) ALDH1A1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL29797163 0.74 RECQL (0.34) ALDH1A1KMT2AMAPK1SLC6A2MEN1
SCHEMBL27541298 0.73 ATM (0.42) P2RX4ALDH1A1KMT2ATSHRMEN1
SCHEMBL7684001 0.72 FABP7 (0.43) FABP7FABP5ALDH1A1KMT2AMAPK1
SCHEMBL19607654 0.70 TSHR (0.44) FABP7FABP5ALDH1A1KMT2AMAPK1
SCHEMBL19607652 0.70 TSHR (0.44) FABP7FABP5ALDH1A1KMT2AMAPK1
SCHEMBL27580070 0.69 P2RX4 (0.43) FABP7FABP5P2RX4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431422-B Isoindoline or isoquinoline compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2019-08-30 CN disclosed
CN-109456324-A New isoindoline or isoquinoline compound, preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2019-03-12 CN disclosed
CN-105408321-B Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them 法国施维雅药厂 2019-03-08 CN disclosed
CN-104341451-B New phosphate compound, its preparation method and the pharmaceutical composition containing them 瑟维尔实验室 2018-04-03 CN disclosed
CN-104341395-B Novel azole compounds, process for their preparation and pharmaceutical compositions containing them 瑟维尔实验室 2017-07-04 CN disclosed
CN-106674201-A Pyrrole compounds, method of preparing same and pharmaceutical compositions containing the compounds 法国施维雅药厂 2017-05-17 CN disclosed
CN-106674196-A Pyrrole compounds, method of preparing same and pharmaceutical compositions containing them 法国施维雅药厂 2017-05-17 CN disclosed
CN-104144930-B New indolizine derivatives, method for preparing same and pharmaceutical compositions containing same 瑟维尔实验室 2017-02-22 CN disclosed