SCHEMBL9874377

SCHEMBL9874377

O=C(c1ccccc1)c1cnc2nc(Cl)ccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 7/20 0.40
CCNE1 P24864 7/20 0.40
CDK2 P24941 7/20 0.40
CCNB2 O95067 4/20 0.39
CDK1 P06493 4/20 0.39
CCNB1 P14635 4/20 0.39
CCNB3 Q8WWL7 4/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AKR1C3 P42330 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL9873549 0.87 CCNE2 (0.41) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL11717100 0.74 CCNE2 (0.44) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL9874630 0.73 KMT2A (0.50) MEN1KMT2ANPC1CYP1A2POLB
SCHEMBL9875561 0.72 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2NR4A1
SCHEMBL5261917 0.71 CCNE2 (0.66) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL1915278 0.71 AKR1C3 (0.47) MEN1KMT2AAKR1C3MAPTNR4A1
SCHEMBL9875062 0.69 KMT2A (0.46) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL9874886 0.69 KMT2A (0.46) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL5001988 0.68 AKR1C3 (0.44) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL2212956 0.68 AKR1C3 (0.48) MEN1KMT2AAKR1C3MAPTSMN1; SMN2

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