SCHEMBL8313813

SCHEMBL8313813

N#Cc1c(Cl)ccc([N+](=O)[O-])c1C#N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.56
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MERTK Q12866 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.38
GRM6 O15303 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL894816 0.87 TDP1 (0.60) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL272708 0.87 TDP1 (0.60) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL30583791 0.87 TDP1 (0.60) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL8390568 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL6581238 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL2001345 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL28571587 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL7860943 0.84 VCAM1 (0.51) VCAM1TDP1TSHRMAPK1RAB9A
SCHEMBL21957846 0.83 VCAM1 (0.50) VCAM1TDP1TSHRMAPK1MERTK
SCHEMBL2950121 0.83 VCAM1 (0.50) VCAM1TDP1TSHRMAPK1MERTK

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
EP-0519423-B1 Phthalocyanine compounds and usage thereof MITSUI CHEMICALS INC (JP) 1999-03-03 EP disclosed
US-5695911-A CONTAINING PHTHALOCYANINE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-12-09 US disclosed
US-5380842-A Color filters MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-10 US disclosed
EP-0519423-A2 Phthalocyanine compounds and usage thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-23 EP disclosed