SCHEMBL9057828

SCHEMBL9057828

CCc1cc(NC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4)cc3)CC2)c(OC)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
DGAT1 O75907 4/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PTPN7 P35236 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
GFER P55789 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 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
SCHEMBL8703304 0.97 MAPT (0.55) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8703773 0.92 RBP4 (0.51) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8703751 0.90 MAPT (0.48) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8703929 0.90 RBP4 (0.47) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL6960671 0.90 KMT2A (0.47) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8703466 0.89 MAPT (0.48) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8699319 0.88 RBP4 (0.45) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8704891 0.88 MAPT (0.53) MAPTLMNAALDH1A1TP53CA12
SCHEMBL8704931 0.88 RBP4 (0.57) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL8702942 0.87 MAPT (0.53) MAPTLMNAALDH1A1TP53L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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