SCHEMBL6960671

SCHEMBL6960671

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 7/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RBP4 P02753 1/20 0.44
PHGDH O43175 1/20 0.44
HSD17B10 Q99714 4/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RY12 Q9H244 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL8089048 0.93 KMT2A (0.45) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8703304 0.93 MAPT (0.55) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6956284 0.91 RBP4 (0.43) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8704961 0.90 KMT2A (0.49) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL9057828 0.90 MAPT (0.53) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8699435 0.90 RBP4 (0.49) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8704931 0.90 RBP4 (0.57) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8703929 0.90 RBP4 (0.47) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8699306 0.89 MAPT (0.42) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6653052 0.89 PHGDH (0.56) KMT2AGAAMAPTLMNAALDH1A1

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 4 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
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