SCHEMBL2783100

SCHEMBL2783100

CN(C)CCNC(=O)C(C)(C)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.44
DNM1 Q05193 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2138113 0.88 DNM1 (0.46) DNM1HTTALDH1A1KDM4ELMNA
SCHEMBL13121178 0.85 CA12 (0.35) SETD7CA1CA2CA12CA9
SCHEMBL10201790 0.83 DNM1 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL649228 0.82 POLB (0.39) CA2CA12CA9SMN1; SMN2ALDH1A1
SCHEMBL26293210 0.79 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL14108219 0.79 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL15741039 0.79 DNM1 (0.42) SETD7DNM1CA1CA2CA12
SCHEMBL17320205 0.78 DNM1 (0.44) DNM1CA1CA2CA12CA9
SCHEMBL409080 0.78 DNM1 (0.44) DNM1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL21197522 0.78 DNM1 (0.41) SETD7DNM1CA1CA2CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010092191-A2 LIQUID COMPOSITE MATERIALS THE UNIVERSITY OF SHEFFIELD (GB) 2010-08-19 WO disclosed
WO-2010092191-A2 LIQUID COMPOSITE MATERIALS THE UNIVERSITY OF SHEFFIELD (GB) 2010-08-19 WO disclosed