SCHEMBL10697969

SCHEMBL10697969

COCCN1C(=O)C(C)c2cc3nc(-c4ccc(O)cc4)n(C)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
BRD4 O60885 2/20 0.34
MTOR P42345 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PTGER4 P35408 5/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL10697536 0.97 MEN1 (0.35) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL10699756 0.90 ALDH1A1 (0.45) MEN1KMT2AHDAC1HDAC8HPGD
SCHEMBL10699875 0.89 MEN1 (0.40) MEN1KMT2ABRD4HPGDKDM4E
SCHEMBL10698685 0.89 DHODH (0.39) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL10700981 0.88 MEN1 (0.37) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL10700264 0.87 ALDH1A1 (0.46) MEN1KMT2AHDAC1HDAC8HPGD
SCHEMBL10699273 0.87 DHODH (0.39) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL10699877 0.86 MEN1 (0.41) MEN1KMT2ABRD4HPGDKDM4E
SCHEMBL10698416 0.85 MEN1 (0.37) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL10694972 0.83 MEN1 (0.40) MEN1KMT2AHDAC1HDAC8HDAC6

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