SCHEMBL6766055

SCHEMBL6766055

COc1ccccc1C1=NN(c2ccccc2Br)C(=O)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NR1H3 Q13133 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TERT O14746 1/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 4/20 0.36

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
SCHEMBL6766369 0.86 KCNN4 (0.43) CASP6GAACASP3SENP8SENP7
SCHEMBL6772719 0.83 KDM4E (0.41) GAAALDH1A1LMNAL3MBTL1CYP2D6
SCHEMBL5781166 0.83 HTR7 (0.46) DRD2ALDH1A1KDM4EHTR7MAOB
Hydrochloric Acid SCHEMBL5782879 0.82 HTR7 (0.45) ALDH1A1KDM4EHTR7MAOB
SCHEMBL6766920 0.81 CYP2D6 (0.53) GAAKMT2AMEN1PTGS2ALDH1A1
SCHEMBL5777171 0.78 POLB (0.52) ALDH1A1L3MBTL1CYP2D6KDM4EMAOB
SCHEMBL6763441 0.78 LMNA (0.46) GAALMNAL3MBTL1KDM4EMAOB
SCHEMBL5780097 0.78 KMT2A (0.37) KMT2ACYP2D6MAOB
Hydrochloric Acid SCHEMBL5783222 0.78 POLB (0.51) ALDH1A1L3MBTL1CYP2D6KDM4EMAOB
SCHEMBL10633526 0.77 KMT2A (0.50) GAAKMT2AMEN1CD274ALDH1A1

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
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