SCHEMBL6953333

SCHEMBL6953333

COc1nc(C)c(C(C)O)cc1NC(=O)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
LMNA P02545 4/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 3/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RBP4 P02753 1/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PANK3 Q9H999 1/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9057398 0.88 GAA (0.51) GAAKMT2ACA12CA1CA2
SCHEMBL6955682 0.87 KMT2A (0.45) GAAKMT2ACA12CA1CA2
SCHEMBL6960387 0.85 KMT2A (0.39) GAAKMT2ACA12CA1CA2
SCHEMBL8699871 0.85 GAA (0.48) GAAKMT2ACA12CA1CA2
SCHEMBL6960154 0.85 GAA (0.48) GAAKMT2ACA12CA1CA2
SCHEMBL6964825 0.85 RBP4 (0.45) GAAKMT2ALMNATP53RBP4
SCHEMBL6956031 0.84 LMNA (0.56) GAAKMT2ACA12CA1CA2
SCHEMBL8699422 0.84 PANK3 (0.57) GAAKMT2ACA12CA1CA2
SCHEMBL6960140 0.84 MAPT (0.41) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL6955171 0.83 MAPT (0.56) GAAKMT2ACA12CA1CA2

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed