SCHEMBL5288926

SCHEMBL5288926

CCCCCCCCCCCCCCCCCCN(C)C(N(C)C)=[N+](C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.44
EPHX2 P34913 5/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GBA1 P04062 1/20 0.34
GGPS1 O95749 3/20 0.34
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 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
SCHEMBL5301025 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5305480 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5307571 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5291697 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5297769 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5288467 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5308216 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5297750 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5291404 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2
SCHEMBL5304893 1.00 DNM1 (0.44) DNM1EPHX2CA12CA1CA2

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed