SCHEMBL19861082

SCHEMBL19861082

O=C1NC(C2CCCCCCC2)=C2C(=O)NC(C3CCCCCCCC3)=C12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
MAPT P10636 2/20 0.33
EPHX2 P34913 1/20 0.33
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
NISCH Q9Y2I1 1/20 0.30
CRBN Q96SW2 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
SCHEMBL18848204 1.00 DAO (0.41) DAOMAPTEPHX2MYCMAX
SCHEMBL18848292 1.00 DAO (0.41) DAOMAPTEPHX2MYCMAX
SCHEMBL14620058 1.00 DAO (0.41) DAOMAPTEPHX2MYCMAX
SCHEMBL18626379 1.00 DAO (0.41) DAOMAPTEPHX2MYCMAX
SCHEMBL14620050 0.80
SCHEMBL18626371 0.76 TYMP (0.32) DAO
SCHEMBL18848197 0.76 TYMP (0.32) DAO
SCHEMBL18626375 0.76 TYMP (0.32) DAO
SCHEMBL22591656 0.72
SCHEMBL6944629 0.70 DAO (0.39) DAOMAPTEPHX2MYCMAX

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-9893302-B2 Heterocyclic fluorescent dyes and method of production thereof BASF SE (DE) 2018-02-13 US disclosed