SCHEMBL14500847

SCHEMBL14500847

CS(=O)(=O)Nc1ccccc1N=Nc1c(SOOO)cc2cc(S(=O)(=O)O)cc(O)c2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ DNASE1L3 Q13609 1/20 0.48
▸ PRMT1 Q99873 1/20 0.45
▸ APEX1 P27695 1/20 0.38
▸ FUT8 Q9BYC5 1/20 0.37
▸ ENPP2 Q13822 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTPRA P18433 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL14529670 0.83 CYP1A2 (0.69) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL14500848 0.83 CYP1A2 (0.49) CYP1A2CYP2C9MAPK1ENPP2MEN1
SCHEMBL14500851 0.83 CYP1A2 (0.49) CYP1A2CYP2C9MAPK1ENPP2MEN1
SCHEMBL14500852 0.80 ENPP2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3FUT8
SCHEMBL14602384 0.79 MEN1 (0.56) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL14443421 0.79 MEN1 (0.56) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL14355348 0.78 CYP1A2 (0.47) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL14259356 0.78 PRMT1 (0.47) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL14500849 0.76 ENPP2 (0.45) CYP1A2ENPP2MEN1KMT2ATHRB
SCHEMBL14489027 0.75 ENPP2 (0.55) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220843-B2 For use in recording fluids, especially for the inkjet printing CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-05-22 — — US disclosed
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