SCHEMBL8700154

SCHEMBL8700154

CCNc1ccc(NCC)c2c1C(=O)c1ccccc1C2=O.O=S(=O)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
POLB P06746 4/20 0.55
USP2 O75604 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
MAPK1 P28482 4/20 0.55
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
BLM P54132 2/20 0.55
RECQL P46063 2/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
CFTR P13569 1/20 0.55
APEX1 P27695 1/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
GOPC Q9HD26 1/20 0.55
NSD2 O96028 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL7529174 0.94 MAPT (0.53) MAPTMEN1KMT2APOLBUSP2
SCHEMBL78525 0.93 MEN1 (0.60) MAPTMEN1KMT2APOLBUSP2
SCHEMBL30678386 0.93 MEN1 (0.60) MAPTMEN1KMT2APOLBUSP2
SCHEMBL29366166 0.93 MEN1 (0.60) MAPTMEN1KMT2APOLBUSP2
SCHEMBL8698507 0.86 MEN1 (0.55) MAPTMEN1KMT2APOLBUSP2
SCHEMBL21300705 0.86 MAPT (0.59) MAPTMEN1KMT2APOLBUSP2
SCHEMBL12659721 0.83 MAPT (0.52) MAPTMEN1KMT2APOLBUSP2
SCHEMBL8428746 0.83 MEN1 (0.61) MAPTMEN1KMT2APOLBUSP2
SCHEMBL9163040 0.83 MEN1 (0.53) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10613217 0.83 ADORA2A (0.61) MAPTMEN1KMT2APOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759211-A COLORING SYNTHETIC TEXTILE OR FIBER BLEND ZENECA LIMITED (GB) 1998-06-02 US disclosed
US-5759211-A COLORING SYNTHETIC TEXTILE OR FIBER BLEND ZENECA LIMITED (GB) 1998-06-02 US disclosed
EP-0743994-A1 ANTHRAQUINONE DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-27 EP disclosed
WO-1995021958-A1 ANTHRAQUINONE DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-08-17 WO disclosed