SCHEMBL20105210

SCHEMBL20105210

Cc1nc(C=O)cn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CCR1 P32246 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL871832 0.77
SCHEMBL20614414 0.74 ALDH1A1 (0.38) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL18073640 0.72 BRD4 (0.35) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL29951216 0.71
SCHEMBL19869652 0.71 BRD4 (0.42) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL20105164 0.71 AURKA (0.37) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL13074741 0.71 BRD4 (0.41) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL4033291 0.68 GAA (0.31) CCR1
SCHEMBL12157416 0.68 BRD4 (0.35) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL4036684 0.68 CCR1 (0.30) CCR1

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-3140304-B1 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2018-05-02 EP disclosed