SCHEMBL4234597

SCHEMBL4234597

Nc1ccccc1NC(=O)c1ccc(C(CCCCN2CCOCC2)NC(=O)NCCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
HTT P42858 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
HDAC1 Q13547 8/20 0.41
HDAC3 O15379 4/20 0.41
HDAC2 Q92769 3/20 0.41

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
SCHEMBL4229423 0.99 MAPT (0.42) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL2383602 0.98 MAPT (0.43) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL1482240 0.92 ALDH1A1 (0.40) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL4229197 0.91 HDAC1 (0.41) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL1497209 0.90 ALDH1A1 (0.41) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL4220661 0.90 ALDH1A1 (0.41) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL4229607 0.89 HDAC1 (0.43) KDM4EHSD17B10KMT2AHDAC1HDAC3
SCHEMBL4234525 0.89 HDAC1 (0.41) MAPTLMNAKDM4EL3MBTL1USP2
SCHEMBL4229297 0.87 HDAC1 (0.45) MAPTLMNAUSP2ALDH1A1HDAC1
SCHEMBL3228228 0.87 SIGMAR1 (0.40) MAPTLMNAKDM4EL3MBTL1USP2

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
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed