SCHEMBL6682946

SCHEMBL6682946

Cc1cccc(Cl)c1Nc1c(F)c2c(c(F)c1Nc1c(C)cccc1Cl)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CXCL8 P10145 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
LCK P06239 3/20 0.38
CXCR2 P25025 1/20 0.38
THRB P10828 1/20 0.38
SRC P12931 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
EGFR P00533 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6651442 0.94 DHODH (0.42) DHODHCYP1A1CYP1A2PTGS2ALDH1A1
SCHEMBL6652839 0.90 ADORA2A (0.41) DHODHCYP1A1CYP1A2SMN1; SMN2CXCL8
SCHEMBL7929769 0.84 PTGS2 (0.41) DHODHPTGS2CXCL8PDK1PDK2
SCHEMBL6658228 0.84 CXCL8 (0.43) DHODHCYP1A1CYP1A2PTGS2ALDH1A1
SCHEMBL6653744 0.84 ADORA2A (0.39) DHODHCYP1A1CYP1A2SMN1; SMN2CXCL8
SCHEMBL7927149 0.81 PTGS2 (0.39) DHODHPTGS2CXCL8PDK1PDK2
SCHEMBL6651932 0.81 MAPT (0.47) DHODHCYP1A2ALDH1A1SMN1; SMN2THRB
SCHEMBL29502784 0.81 MAPT (0.47) DHODHCYP1A2ALDH1A1SMN1; SMN2THRB
SCHEMBL7933236 0.80 PTGS2 (0.40) DHODHPTGS2CXCL8PDK1PDK2
SCHEMBL22283454 0.79 TOP2A (0.41) DHODHCYP1A1CYP1A2PTGS2ALDH1A1

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
EP-0833203-B1 Anthraquinone compounds NIPPON CATALYTIC CHEM IND (JP) 2004-06-16 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed