SCHEMBL20142346

SCHEMBL20142346

CCCCCCCCCCCCCC(CCCN)C(N)CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.43
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10777307 0.96 SPHK1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL5814962 0.88 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9817588 0.88 SPHK1 (0.45) DNM1MEN1KMT2AALDH1A1TSHR
Fluoride SCHEMBL28034068 0.88 DNM1 (0.54) DNM1MEN1KMT2AALDH1A1TSHR
Fluoride SCHEMBL9761042 0.85 LMNA (0.46) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL14900909 0.84 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL15580908 0.84 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL11832847 0.84 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL9242303 0.84 NFKB1 (0.33) DNM1TSHRLMNABLM
SCHEMBL4446153 0.82 OPRM1 (0.50) DNM1TSHRSPHK1OPRM1CYP2D6

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
EP-3537877-A1 DISINFECTANT COMPOSITION HAVING RESIDUAL BIOCIDAL PROPERTIES Lonza Inc. (US) 2019-09-18 EP disclosed
WO-2018089761-A1 DISINFECTANT COMPOSITION HAVING RESIDUAL BIOCIDAL PROPERTIES LONZA INC. (US) 2018-05-17 WO disclosed