SCHEMBL15765871

SCHEMBL15765871

NCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CON

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 6/20 0.37
NCF1 P14598 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GLP1R P43220 5/20 0.32
TSHR P16473 2/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 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
SCHEMBL270173 0.89 MEN1 (0.39) MEN1KMT2ACA2NCF1CA12
SCHEMBL24591513 0.89 MEN1 (0.39) MEN1KMT2ACA2NCF1CA12
SCHEMBL12029017 0.89 MEN1 (0.44) MEN1KMT2ACA2NCF1CA12
SCHEMBL25241161 0.86 TSHR (0.43) MEN1KMT2ACA2NCF1CA12
SCHEMBL24040342 0.85 CA2 (0.34) MEN1KMT2ACA2NCF1CA12
SCHEMBL24040332 0.85 MEN1 (0.41) MEN1KMT2ACA2NCF1CA12
SCHEMBL5912367 0.84 MEN1 (0.38) MEN1KMT2ACA2NCF1CA12
SCHEMBL20017289 0.82 MEN1 (0.41) MEN1KMT2ACA2NCF1CA12
SCHEMBL12730446 0.81 TSHR (0.42) MEN1KMT2ACA2TSHR
SCHEMBL12589997 0.81 TSHR (0.42) MEN1KMT2ACA2TSHR

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
WO-2014083505-A1 METHODS FOR MAKING CONJUGATES FROM DISULFIDE-CONTAINING PROTEINS NOVARTIS AG (CH) 2014-06-05 WO disclosed