SCHEMBL8922861

SCHEMBL8922861

CS(=O)(=O)Nc1cc(-c2nc3ccccc3o2)ccc1-c1nc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
RAB9A P51151 1/20 0.53
PTPN2 P17706 15/20 0.51
PTPN1 P18031 15/20 0.51
PTPN5 P54829 15/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HSPD1 P10809 7/20 0.50
HSPE1 P61604 7/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL13490141 0.85 PTGS2 (0.58) PTGS2RAB9APTPN2PTPN1PTPN5
SCHEMBL13490139 0.84 PTGS2 (0.46) PTGS2RAB9APTPN2PTPN1PTPN5
SCHEMBL8927385 0.84 PTPN1 (0.71) PTGS2PTPN2PTPN1PTPN5MEN1
SCHEMBL8924725 0.82 MAPT (0.55) RAB9APTPN2PTPN1PTPN5MEN1
SCHEMBL10069500 0.76 NPC1 (0.60) PTGS2RAB9APTPN2PTPN1PTPN5
SCHEMBL9617482 0.75 PTGS2 (0.69) PTGS2RAB9APTPN2PTPN1PTPN5
SCHEMBL3927717 0.75 PTPN2 (0.51) PTPN2PTPN1PTPN5MEN1MAPT
SCHEMBL28014646 0.74 RAB9A (0.61) RAB9AMEN1MAPTHPGDKMT2A
SCHEMBL28177545 0.74 MAPT (0.48) PTGS2RAB9AMEN1MAPTHPGD
SCHEMBL3317791 0.74 KDM6B (0.63) PTGS2RAB9APTPN2PTPN1PTPN5

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
US-5298189-A Fluorescent compound dispersed in polymer matrix, no self-absorption, stable to high energy radiation NANOPTICS INCORPORATED (US) 1994-03-29 US claimed
US-5606638-A Organic scintillator systems and optical fibers containing polycyclic aromatic compounds NANOPTICS INCORPORATED (US) 1997-02-25 US disclosed
US-5298189-A Fluorescent compound dispersed in polymer matrix, no self-absorption, stable to high energy radiation NANOPTICS INCORPORATED (US) 1994-03-29 US disclosed