SCHEMBL10698685

SCHEMBL10698685

CC1C(=O)N(CCO)c2cc3c(cc21)nc(-c1ccc(O)cc1)n3C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ESR1 P03372 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
CHEK2 O96017 1/20 0.32

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
SCHEMBL10699273 0.96 DHODH (0.39) DHODHMEN1KMT2AJAK2JAK1
SCHEMBL10700981 0.90 MEN1 (0.37) DHODHMEN1KMT2AJAK2JAK1
SCHEMBL10699478 0.89 MEN1 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL10697969 0.89 MEN1 (0.35) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL10698416 0.86 MEN1 (0.37) DHODHMEN1KMT2AJAK2JAK1
SCHEMBL10694972 0.85 MEN1 (0.40) DHODHMEN1KMT2AJAK2JAK1
SCHEMBL10697536 0.85 MEN1 (0.35) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL10701679 0.85 MEN1 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL10699903 0.84 CYP11B1 (0.47) MEN1KMT2A
SCHEMBL10697886 0.80 CYP11B1 (0.47) MEN1KMT2A

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed