SCHEMBL11267291

SCHEMBL11267291

O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.68
PTGDR2 Q9Y5Y4 1/20 0.50
AKR1B10 O60218 1/20 0.49
AKR1A1 P14550 1/20 0.49
AKR1B1 P15121 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.46
TBXA2R P21731 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2762171 0.89 APEX1 (0.79) APEX1HDAC1HDAC11HDAC8HDAC6
SCHEMBL11263079 0.87 APEX1 (0.70) APEX1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL11259242 0.85 APEX1 (0.68) APEX1PTGDR2SMN1; SMN2KDM4EMEN1
SCHEMBL11808900 0.82 APEX1 (1.00) APEX1POLBSMN1; SMN2GLAKDM4E
SCHEMBL11260693 0.82 APEX1 (0.62) APEX1PTGDR2SMN1; SMN2
SCHEMBL11257792 0.82 MEN1 (0.64) APEX1PTGDR2HDAC1HDAC11HDAC8
SCHEMBL11264725 0.80 APEX1 (0.64) APEX1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL27110208 0.79 APEX1 (0.63) APEX1PTGDR2POLBSMN1; SMN2GLA
SCHEMBL18555697 0.79 PTGS2 (0.52) MEN1KMT2A
SCHEMBL11257423 0.78 APEX1 (0.60) APEX1POLBSMN1; SMN2GLAKDM4E

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-0019440-B1 BENZIMIDAZOLONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1982-09-29 EP disclosed
EP-0019440-A1 Benzimidazolone derivatives, process for their preparation and pharmaceutical compositions containing them PFIZER INC. (US) 1980-11-26 EP disclosed
US-4209527-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed