SCHEMBL28700780

SCHEMBL28700780

CC(CCCCN)CCCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
BLM P54132 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX1 P07099 1/20 0.45
NFKB1 P19838 1/20 0.44

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
SCHEMBL18499986 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL25181284 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL28916092 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL25189438 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL23094027 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL25092939 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL25188306 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL25187042 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL28811458 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL27966366 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3

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
CN-106211748-B Agrochemical oil-based concentrates 禾大国际股份公开有限公司 2022-03-11 CN disclosed