SCHEMBL28009397

SCHEMBL28009397

CCN(C(C)C)C(C)C.NCCCCCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
CHRM2 P08172 1/20 0.40

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
Ethylamine SCHEMBL8329983 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL7097725 0.80
SCHEMBL5544690 0.80 MEN1 (0.42) MEN1KMT2A
SCHEMBL1746 0.80
SCHEMBL27800158 0.79 CHRM2 (0.52) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3783474 0.79 CHRM2 (0.52) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL2762075 0.79 CHRM2 (0.52) DNM1TSHRMEN1KMT2AALDH1A1
Hydrazine SCHEMBL28180292 0.77 MEN1 (0.36) MEN1KMT2A
Isopropylamine SCHEMBL28909420 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL319537 0.76 MEN1 (0.40) MEN1KMT2A

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-102348718-B Deoxyactagardine derivatives NOVACTA BIOSYSTEMS LTD 2015-06-03 CN claimed