SCHEMBL16034161

SCHEMBL16034161

O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)c(/N=N/c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ENPP2 Q13822 2/20 0.52
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ HIF1A Q16665 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPRB P23467 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAPGEF4 Q8WZA2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SUMO2 P61956 3/20 0.47
▸ SUMO1 P63165 3/20 0.47
▸ SENP7 Q9BQF6 3/20 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
SCHEMBL16034162 1.00 POLB (0.55) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL11883457 0.85 THRB (0.59) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL8649033 0.85 CYP1A2 (0.56) CYP2D6KMT2ATDP1MAPTGAA
SCHEMBL8649035 0.85 CYP1A2 (0.56) CYP2D6KMT2ATDP1MAPTGAA
SCHEMBL8961472 0.83 SUMO2 (0.53) KMT2ATDP1MAPTGAAMAPK1
SCHEMBL3009727 0.80 CYP1A2 (0.77) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL3009730 0.80 CYP1A2 (0.77) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL7089862 0.78 MPL (0.60) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL135509 0.78 CYP1A2 (0.75) POLBCYP2D6KMT2ATDP1MAPT
SCHEMBL9343019 0.78 CYP1A2 (0.75) POLBCYP2D6KMT2ATDP1MAPT

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-20140261517-A1 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS COOLWAY INC. (US) 2014-09-18 — — US disclosed
Send feedback