SCHEMBL8705266

SCHEMBL8705266

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
RBP4 P02753 1/20 0.52
MAPT P10636 4/20 0.47
SHMT2 P34897 1/20 0.47
HTT P42858 1/20 0.47
PANK3 Q9H999 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8703374 0.93 RBP4 (0.49) KMT2AGAARBP4MAPTALDH1A1
SCHEMBL8702972 0.91 KMT2A (0.48) KMT2AGAARBP4MAPTHTT
SCHEMBL8699082 0.91 KMT2A (0.48) KMT2AGAARBP4MAPTHTT
SCHEMBL8700453 0.89 RBP4 (0.56) KMT2AGAARBP4MAPTSHMT2
SCHEMBL8699350 0.88 KMT2A (0.53) KMT2AGAARBP4MAPTHTT
SCHEMBL8705671 0.88 MAPT (0.51) KMT2AGAARBP4MAPTSHMT2
SCHEMBL8701082 0.88 KMT2A (0.43) KMT2AGAARBP4MAPTHTT
SCHEMBL8704961 0.87 KMT2A (0.49) KMT2AGAARBP4MAPTHTT
SCHEMBL8699268 0.84 RBP4 (0.49) KMT2AGAARBP4MAPTHTT
SCHEMBL8704931 0.83 RBP4 (0.57) KMT2AGAARBP4MAPTHTT

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