SCHEMBL5154337

SCHEMBL5154337

O=[N+]([O-])c1ccc[c]c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6205052 0.79 TDP1 (0.42) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL5585097 0.77 TDP1 (0.41) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL456245 0.77 TDP1 (0.44) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL6978074 0.76 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL1173928 0.75 TDP1 (0.41) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL831218 0.73 TDP1 (0.37) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL5506758 0.73 AR (0.48) KMT2AMEN1RAB9ANPC1RECQL
SCHEMBL2676405 0.73 EGFR (0.48) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL40607 0.73 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TDP1SIGMAR1
SCHEMBL16519973 0.73 TDP1 (0.48) KMT2AMEN1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740947-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2007-01-10 EP disclosed
WO-2005098437-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) 2005-10-20 WO disclosed
US-5622970-A CONTROLLING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1997-04-22 US disclosed
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed
US-5192773-A Isomerase inhibitor VERTEX PHARMACEUTICALS, INC. (US) 1993-03-09 US disclosed