SCHEMBL8699871

SCHEMBL8699871

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 4/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
RBP4 P02753 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.42

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 0.90 RBP4 (0.56) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8704931 0.90 RBP4 (0.57) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8703619 0.90 GAA (0.48) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8703466 0.89 MAPT (0.48) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL9057398 0.89 GAA (0.51) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8699082 0.89 KMT2A (0.48) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8704635 0.89 KMT2A (0.52) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL8699350 0.88 KMT2A (0.53) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL6958269 0.88 GAA (0.48) GAAKMT2ALMNAHSD17B10POLB
SCHEMBL9016354 0.87 CA12 (0.41) GAAKMT2ALMNAHSD17B10POLB

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