SCHEMBL9873549

SCHEMBL9873549

O=C(c1ccccc1)c1cnc2nc(Cl)ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 8/20 0.41
CCNE1 P24864 8/20 0.41
CDK2 P24941 8/20 0.41
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
NR4A1 P22736 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 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
SCHEMBL9874377 0.87 CCNE2 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1915278 0.72 AKR1C3 (0.47) AKR1C3MEN1KMT2ANR4A1ALDH1A1
SCHEMBL9873291 0.71 KMT2A (0.45) CCNE2CCNE1CDK2AKR1C3MEN1
SCHEMBL9874612 0.71 MEN1 (0.62) MEN1KMT2ALMNANR4A1ALDH1A1
SCHEMBL12876007 0.71 AXL (0.53) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL5001988 0.69 AKR1C3 (0.44) CCNE2CCNE1CDK2AKR1C3MEN1
SCHEMBL2212956 0.69 AKR1C3 (0.48) AKR1C3MEN1KMT2ANR4A1ALDH1A1
SCHEMBL1362487 0.69 NR3C1 (0.64) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL1124270 0.68 NR1H2 (0.72) NR1H2NR1H3MAPT
SCHEMBL10498786 0.68 MEN1 (0.50) MEN1KMT2ANR1H2NR1H3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed