SCHEMBL6965376

SCHEMBL6965376

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
NAMPT P43490 1/20 0.42
TLR9 Q9NR96 3/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
P2RY12 Q9H244 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
ABCB1 P08183 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
P2RX7 Q99572 1/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL6956245 0.90 NAMPT (0.42) MAPTSMN1; SMN2LMNANAMPTTLR9
SCHEMBL6966613 0.90 KMT2A (0.45) MAPTSMN1; SMN2LMNANAMPTTLR9
SCHEMBL6958231 0.86 ADRB1 (0.46) MAPTLMNAKMT2AGAAP2RY12
SCHEMBL8699714 0.86 MAPT (0.50) MAPTLMNATLR9GAAP2RY12
SCHEMBL8699373 0.86 MAPT (0.47) MAPTNAMPTKMT2AGAAMEN1
SCHEMBL6960671 0.82 KMT2A (0.47) MAPTSMN1; SMN2LMNANAMPTKMT2A
SCHEMBL8704078 0.81 KMT2A (0.45) MAPTLMNANAMPTKMT2AGAA
SCHEMBL6964672 0.80 KIT (0.44) NAMPTTLR9P2RX7TLR7SLC2A1
SCHEMBL6956575 0.80 MEN1 (0.45) MAPTSMN1; SMN2LMNANAMPTTLR9
SCHEMBL8704961 0.78 KMT2A (0.49) MAPTSMN1; SMN2LMNANAMPTKMT2A

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
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