SCHEMBL6955682

SCHEMBL6955682

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 8/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PHGDH O43175 1/20 0.43
RBP4 P02753 1/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
ROCK2 O75116 1/20 0.41
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6960387 0.91 KMT2A (0.39) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6964825 0.90 RBP4 (0.45) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6960140 0.89 MAPT (0.41) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6961151 0.88 PHGDH (0.55) KMT2ALMNAALDH1A1PHGDH
SCHEMBL6953333 0.87 GAA (0.47) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6954279 0.86 KMT2A (0.49) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6674803 0.86 PHGDH (0.42) KMT2AMAPTLMNAALDH1A1L3MBTL1
SCHEMBL6961133 0.85 PHGDH (0.39) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6966881 0.85 KMT2A (0.46) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6963517 0.85 KMT2A (0.40) KMT2AGAAMAPTLMNAALDH1A1

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