SCHEMBL8701082

SCHEMBL8701082

CCc1cc(NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)c(Oc2ccccc2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RBP4 P02753 1/20 0.43
MAPT P10636 5/20 0.43
HCAR2 Q8TDS4 1/20 0.42
PDGFRB P09619 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
CCR4 P51679 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
FAAH O00519 1/20 0.40
HTT P42858 1/20 0.40
S1PR2 O95136 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL8704961 0.92 KMT2A (0.49) KMT2AGAARBP4MAPTHCAR2
SCHEMBL8703374 0.92 RBP4 (0.49) KMT2AGAARBP4MAPTHCAR2
SCHEMBL8705266 0.88 KMT2A (0.52) KMT2AGAARBP4MAPTALDH1A1
SCHEMBL8702972 0.88 KMT2A (0.48) KMT2AGAARBP4MAPTHCAR2
SCHEMBL8699082 0.88 KMT2A (0.48) KMT2AGAARBP4MAPTHCAR2
SCHEMBL6956284 0.86 RBP4 (0.43) KMT2AGAARBP4MAPTALDH1A1
SCHEMBL8699098 0.85 PANK3 (0.54) KMT2ARBP4MAPTALDH1A1KDM4E
SCHEMBL8699350 0.85 KMT2A (0.53) KMT2AGAARBP4MAPTHCAR2
SCHEMBL8699268 0.85 RBP4 (0.49) KMT2AGAARBP4MAPTHCAR2
SCHEMBL8701257 0.84 MAPT (0.52) KMT2AGAARBP4MAPTPDGFRB

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