SCHEMBL6965181

SCHEMBL6965181

COc1cc(OC)cc(N2CCN(C(=O)Nc3cc(C(C)=O)c(C)nc3OC)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
PHGDH O43175 1/20 0.44
RBP4 P02753 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN7 P35236 1/20 0.40

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
SCHEMBL6966159 0.92 MAPT (0.46) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6960822 0.91 KMT2A (0.42) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6960739 0.90 PHGDH (0.55) MAPTKMT2AGAALMNAALDH1A1
SCHEMBL6960317 0.90 RBP4 (0.47) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6956352 0.89 MAPT (0.44) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6954279 0.88 KMT2A (0.49) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6675916 0.88 PHGDH (0.42) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6960154 0.86 GAA (0.48) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6965287 0.85 KMT2A (0.47) MAPTKMT2AL3MBTL1MAPK1GAA
SCHEMBL6960671 0.85 KMT2A (0.47) MAPTKMT2AL3MBTL1MAPK1GAA

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