SCHEMBL11502016

SCHEMBL11502016

CCOCCNC(=O)N(CCCCCCN(C(=N)N)C(=O)NCCOCC)C(=N)N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
EPHX2 P34913 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPY1R P25929 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11501551 0.95 KDM4E (0.33) TSHREPHX2KMT2AHPGDHTT
SCHEMBL8032200 0.77 EPHX1 (0.47) EPHX2
SCHEMBL3070903 0.76 EPHX1 (0.40)
SCHEMBL11502077 0.75 ALDH1A1 (0.33) NPY1R
SCHEMBL11501820 0.74 MTNR1A (0.50) TSHREPHX2MEN1KMT2AHPGD
SCHEMBL11501702 0.72 SPHK1 (0.43) EPHX2
SCHEMBL11501651 0.72 MTNR1A (0.48) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL11501658 0.70 KDM4E (0.33) SMN1; SMN2NPY1R
SCHEMBL25503060 0.70 CHRNB2 (0.46) TSHREPHX2MEN1KMT2AHPGD
SCHEMBL1455011 0.69

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
US-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 US claimed