SCHEMBL8699082

SCHEMBL8699082

CCc1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)c(Oc2ccccc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
HCAR2 Q8TDS4 2/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RBP4 P02753 1/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL8705266 0.91 KMT2A (0.52) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8702972 0.91 KMT2A (0.48) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8699871 0.89 GAA (0.48) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8699350 0.88 KMT2A (0.53) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8701082 0.88 KMT2A (0.43) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8704961 0.87 KMT2A (0.49) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8703374 0.87 RBP4 (0.49) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL8699268 0.86 RBP4 (0.49) KMT2AGAAHCAR2MAPTALDH1A1
SCHEMBL27501384 0.84 CCKAR (0.39) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8704931 0.83 RBP4 (0.57) KMT2AGAAMAPTALDH1A1MAPK1

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