SCHEMBL6960822

SCHEMBL6960822

COc1nc(C)c(C(C)=O)cc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MAPT P10636 5/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
RBP4 P02753 1/20 0.41
PHGDH O43175 2/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DGAT1 O75907 1/20 0.39
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL6964452 0.92 KMT2A (0.41) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6965181 0.91 MAPT (0.47) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6960317 0.91 RBP4 (0.47) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6956352 0.90 MAPT (0.44) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6955729 0.90 PHGDH (0.51) KMT2AMAPTGAAPHGDHLMNA
SCHEMBL6963524 0.88 KMT2A (0.43) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6675114 0.88 PHGDH (0.38) KMT2AMAPTPHGDHLMNAALDH1A1
SCHEMBL6956284 0.85 RBP4 (0.43) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6965802 0.85 KMT2A (0.41) KMT2AMAPTMAPK1L3MBTL1GAA
SCHEMBL6960154 0.85 GAA (0.48) KMT2AMAPTMAPK1L3MBTL1GAA

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