SCHEMBL8705667

SCHEMBL8705667

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CA12 O43570 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA1 P00915 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RBP4 P02753 1/20 0.46
GAA P10253 3/20 0.45
TYR P14679 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL6652808 0.90 RBP4 (0.57) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL8703466 0.89 MAPT (0.48) MAPTKMT2AL3MBTL1MAPK1ME2
SCHEMBL9057398 0.89 GAA (0.51) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL6954279 0.88 KMT2A (0.49) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL8704349 0.88 MAPT (0.49) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL8699449 0.88 RBP4 (0.48) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL6963524 0.87 KMT2A (0.43) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL8702969 0.86 RBP4 (0.49) MAPTKMT2AL3MBTL1MAPK1LMNA
SCHEMBL27484486 0.85 KMT2A (0.62) MAPTKMT2AMAPK1LMNAALDH1A1
SCHEMBL8699252 0.85 MAPT (0.44) MAPTKMT2AL3MBTL1MAPK1LMNA

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed