SCHEMBL6233715

SCHEMBL6233715

Clc1cnc2nc(-c3ccco3)c(-c3ccco3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 11/20 0.63
PIK3CA P42336 11/20 0.63
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 5/20 0.53
POLB P06746 5/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
PTPN7 P35236 4/20 0.53
KDM4E B2RXH2 4/20 0.53
RECQL P46063 4/20 0.53
BLM P54132 4/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
HPGD P15428 3/20 0.53
PKM P14618 2/20 0.53
ALOX15 P16050 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL6243217 0.82 PIK3R1 (0.63) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL6236060 0.75 TDP1 (0.56) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL6234984 0.74 MEN1 (0.65) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL9866232 0.72 ALOX5 (0.49) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL27734202 0.70 MEN1 (1.00) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL2114343 0.70 MAPT (1.00) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL7696747 0.70 TDP1 (1.00) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL363259 0.69 ALDH1A1 (0.68) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL6305829 0.68 PIK3R1 (0.61) PIK3R1PIK3CAMEN1ALDH1A1POLB
SCHEMBL14829072 0.67 HTT (0.39) POLBTDP1HPGDHSD17B10TSHR

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed