SCHEMBL27677756

SCHEMBL27677756

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3c(N)c(C(C)=O)c(-c4ccccc4)cc3s2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
PTK2B Q14289 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MTOR P42345 1/20 0.35
RORB Q92753 4/20 0.34
RORC P51449 2/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL27696376 0.79 MAPT (0.37) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL27678046 0.78 KDM4E (0.37) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5022953 0.77 KDM4E (0.53) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5023522 0.77 ALDH1A1 (0.39) KMT2AMAPTKDM4ENPSR1MEN1
SCHEMBL5016984 0.77 MAPT (0.43) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5027363 0.75 KDM4E (0.39) KMT2AMAPTKDM4ELMNAMEN1
Benzene SCHEMBL5016963 0.74 KMT2A (0.42) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5023088 0.73 KMT2A (0.43) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5025793 0.72 KDM4E (0.53) KMT2AMAPTKDM4ELMNANPSR1
SCHEMBL5023519 0.72 KDM4E (0.42) KMT2AMAPTKDM4ELMNANPSR1

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
CN-100368407-C 2-aminobenzothiazoles as CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-02-13 CN claimed
CN-100368407-C 2-aminobenzothiazoles as CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-02-13 CN disclosed