SCHEMBL6763497

SCHEMBL6763497

COc1ccccc1N1N=C(c2ccccn2)OCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
CASP3 P42574 1/20 0.38
CASP6 P55212 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 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
SCHEMBL6763399 0.81 HTR7 (0.35) PDCD1CD274KDM4ESMN1; SMN2MEN1
SCHEMBL5778171 0.81 MEN1 (0.39) PDCD1CD274KDM4EMEN1KMT2A
SCHEMBL5780049 0.81 SLC5A2 (0.36) PDCD1CD274KDM4ESMN1; SMN2MEN1
SCHEMBL6767423 0.79 GRIA1 (0.37) KDM4EMEN1KMT2AHTTPKM
SCHEMBL5778501 0.78 MAPT (0.42) PDCD1CD274KDM4ESMN1; SMN2MEN1
SCHEMBL6767437 0.78 MAPK14 (0.36) KDM4ESMN1; SMN2KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL5780693 0.77 MAPT (0.41) PDCD1CD274KDM4ESMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6765921 0.77 MAPK14 (0.35) KDM4ESMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6766369 0.74 KCNN4 (0.43) PDCD1CD274SMN1; SMN2MEN1KMT2A
SCHEMBL6766055 0.74 CASP6 (0.41) PDCD1CD274KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP claimed
US-6825192-B1 NON-N-METHYL-D-ASPARTATE (NON- NMDA) EXCITATORY AMINO ACID RECEPTOR ANTAGONISTIC ACTION, FOR EXAMPLE 2-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONIC ACID (AMPA) RECEPTOR ANTAGONISTIC ACTION EISAI CO., LTD. (JP) 2004-11-30 US disclosed
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP disclosed