SCHEMBL8705671

SCHEMBL8705671

CCOc1nc(C)c(CC)cc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RBP4 P02753 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
PANK3 Q9H999 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
SHMT2 P34897 1/20 0.47
P2RY12 Q9H244 1/20 0.47
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8700453 0.91 RBP4 (0.56) MAPTLMNATSHRSMN1; SMN2RBP4
SCHEMBL8705266 0.88 KMT2A (0.52) MAPTLMNATSHRSMN1; SMN2NPSR1
SCHEMBL8699871 0.82 GAA (0.48) MAPTLMNATSHRSMN1; SMN2RBP4
SCHEMBL8704433 0.81 MAPT (0.48) MAPTSMN1; SMN2RBP4HTTPANK3
SCHEMBL8699435 0.81 RBP4 (0.49) MAPTLMNATSHRRBP4MAPK1
SCHEMBL8704931 0.81 RBP4 (0.57) MAPTLMNATSHRSMN1; SMN2RBP4
SCHEMBL8703619 0.81 GAA (0.48) MAPTLMNATSHRSMN1; SMN2RBP4
SCHEMBL8702850 0.81 PANK3 (0.56) MAPTLMNATSHRSMN1; SMN2NPSR1
SCHEMBL8699119 0.81 KDM4E (0.55) MAPTLMNARAB9ASMN1; SMN2MAPK1
SCHEMBL8699373 0.81 MAPT (0.47) MAPTRBP4HTTPANK3ALDH1A1

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