SCHEMBL7452828

SCHEMBL7452828

CCOP(=O)(OCC)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL29677328 1.00 TP53 (0.39) TP53TDP1TSHRMEN1GAA
SCHEMBL28499171 0.98 TP53 (0.38) TP53TDP1TSHRMEN1GAA
SCHEMBL28498569 0.98 TP53 (0.38) TP53TDP1TSHRMEN1GAA
SCHEMBL3539649 0.89 TP53 (0.32) TP53TDP1TSHRSIGMAR1
SCHEMBL6988942 0.88 TP53 (0.37) TP53TDP1TSHRMEN1GAA
SCHEMBL8928315 0.84 TP53 (0.48) TP53TDP1TSHRMEN1GAA
SCHEMBL13575585 0.84 TP53 (0.48) TP53TDP1TSHRMEN1GAA
SCHEMBL15443789 0.82 TSHR (0.36) TP53TDP1TSHRMEN1GAA
SCHEMBL5623197 0.78 TP53 (0.42) TP53TDP1TSHRMEN1GAA
SCHEMBL29389309 0.75 KMT2A (0.58) TP53TDP1TSHRMEN1GAA

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
WO-2001087888-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SK CHEMICALS CO., LTD. (KR) 2001-11-22 WO disclosed