SCHEMBL6202697

SCHEMBL6202697

Nc1cnnc2cc3c(cc12)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MPO P05164 4/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL242407 0.79 NPC1 (0.41) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL241448 0.79 MPO (0.40) MPOMAPTKDM4EALDH1A1HPGD
SCHEMBL13163265 0.79 ALDH1A1 (0.41) CTSLCTSBMPOMAPTKMT2A
SCHEMBL242223 0.79 NPC1 (0.37) MPOMAPTKMT2AMEN1KDM4E
SCHEMBL12861068 0.75 ALDH1A1 (0.44) SRCMPOMAPTKMT2AMEN1
SCHEMBL13163266 0.73 SMN1; SMN2 (0.43) MAPTKMT2AMEN1POLBKDM4E
SCHEMBL13993590 0.73 ALDH1A1 (0.38) MPOMAPTKMT2AMEN1POLB
SCHEMBL13163262 0.72 SMN1; SMN2 (0.40) MPOMAPTKMT2AMEN1POLB
SCHEMBL243787 0.71 NR4A2 (0.47) SRCCTSLCTSBMPOMAPT
SCHEMBL3266921 0.70 NPC1 (0.33) MPOMAPTKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465625-A4 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2005-06-08 EP disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed