SCHEMBL3959299

SCHEMBL3959299

CCCC=C(N)CCCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
PAOX Q6QHF9 1/20 0.40
SLC6A5 Q9Y345 2/20 0.39
FAAH O00519 3/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 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
SCHEMBL3959297 1.00 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14645288 1.00 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14645289 1.00 DNM1 (0.42) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27726436 0.90 DNM1 (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL27753478 0.88 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14731056 0.87 FAAH (0.50) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL19194651 0.82 FAAH (0.39) MEN1KMT2AALDH1A1TSHRFAAH
SCHEMBL1485870 0.82 FAAH (0.39) MEN1KMT2AALDH1A1TSHRFAAH
SCHEMBL19261784 0.78 FAAH (0.55) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL21956035 0.78 FAAH (0.55) MEN1KMT2AFAAHTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
EP-2078048-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS Albemarle Corporation (US) 2009-07-15 EP disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed