SCHEMBL28416079

SCHEMBL28416079

O=C(Nc1ccc(Cl)c2cccnc12)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.62
SLC40A1 Q9NP59 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
GAA P10253 1/20 0.54
GRM4 Q14833 1/20 0.54
KMT2A Q03164 4/20 0.53
TP53 P04637 3/20 0.53
MEN1 O00255 3/20 0.52
PABPC1 P11940 1/20 0.50
EIF4H Q15056 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
METAP2 P50579 1/20 0.49
METAP1 P53582 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
SCHEMBL28778106 0.89 KDR (0.62) KDRL3MBTL1GAAGRM4KMT2A
SCHEMBL28434027 0.84 KDR (0.63) KDRL3MBTL1GAAKMT2ATP53
SCHEMBL28891850 0.84 KDR (0.63) KDRL3MBTL1GAAGRM4KMT2A
SCHEMBL23360257 0.83 KMT2A (0.74) KDRSLC40A1L3MBTL1GAAKMT2A
SCHEMBL29862819 0.83 KMT2A (0.74) KDRSLC40A1L3MBTL1GAAKMT2A
SCHEMBL17597171 0.81 KDM4E (0.57) KDRSLC40A1L3MBTL1GAAKMT2A
SCHEMBL6054969 0.81 NPC1 (0.60) GRM4KMT2ATP53MEN1NPC1
SCHEMBL31565287 0.80 SLC40A1 (0.52) KDRSLC40A1L3MBTL1GAAKMT2A
SCHEMBL28510851 0.80 SLC40A1 (0.59) KDRSLC40A1L3MBTL1GAAKMT2A
SCHEMBL28676976 0.80 KDR (0.58) KDRL3MBTL1GAAKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925685-B Triheteroaryltertiary amine and synthesis method thereof 南昌大学 2023-05-16 CN disclosed
CN-111320579-B Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2021-06-29 CN disclosed
CN-111519204-B Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2021-06-29 CN disclosed
CN-111519204-B Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2021-06-29 CN disclosed
CN-111519204-B Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2021-06-29 CN disclosed
CN-111519204-A Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2020-08-11 CN disclosed
CN-111519204-A Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2020-08-11 CN disclosed
CN-111519204-A Method for preparing N- (5-chloro-8-quinolyl) benzamide compound by adopting electrochemical microchannel reaction device 南京工业大学 2020-08-11 CN disclosed
CN-111320579-A Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2020-06-23 CN disclosed