SCHEMBL28636403

SCHEMBL28636403

CCCCCCC(CN)NCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.43
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 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
SCHEMBL17336292 0.91 ALDH1A1 (0.44) DNM1ALDH1A1TSHRTDP1
SCHEMBL2332772 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL6900932 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL2328457 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL2338635 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL5511019 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL9852681 0.86 LMNA (0.42) DNM1OPRM1TSHREPHX1SPHK1
SCHEMBL30863983 0.85 EPHX1 (0.44) DNM1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL2795805 0.85 DNM1 (0.42) DNM1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL11506537 0.85 DNM1 (0.46) DNM1OPRM1ALDH1A1MEN1KMT2A

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-113265053-A Catalyst having polysiloxane structural units for curable compositions SIKA技术股份公司 2021-08-17 CN disclosed