SCHEMBL22470925

SCHEMBL22470925

COc1cc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])cc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 2/20 0.41
S1PR1 P21453 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL22471076 0.97 MAPT (0.42) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL28425256 0.97 MAPT (0.42) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471069 0.91 SIRT6 (0.46) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22470985 0.91 KDM4E (0.46) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471057 0.90 KDM4E (0.46) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471075 0.89 SIRT6 (0.46) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471044 0.86 ALDH1A1 (0.47) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22470970 0.86 MAPT (0.41) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471254 0.85 MAPT (0.42) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL22471072 0.85 MAPT (0.48) MAPTALDH1A1MAPK1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111356687-B Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2021-03-30 CN disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
CN-111356687-A Pyrimidine-containing tri-substituted imidazole compound and application thereof 广州必贝特医药技术有限公司 2020-06-30 CN disclosed