SCHEMBL18937509

SCHEMBL18937509

Cc1ccc2ccccc2c1/N=N/c1c(C)cc(S(=O)(=O)O)c2cc(N=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 10/20 0.52
▸ CTRC Q99895 2/20 0.52
▸ GLO1 Q04760 1/20 0.49
▸ SENP2 Q9HC62 2/20 0.45
▸ SENP1 Q9P0U3 2/20 0.45
▸ SUMO2 P61956 1/20 0.45
▸ SUMO1 P63165 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP3 Q9H4L4 1/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45

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
SCHEMBL16749787 0.88 MPL (0.65) MPLCTRCGLO1SENP2SENP1
SCHEMBL10049018 0.83 MPL (0.77) MPLCTRCGLO1SENP7CYP1A2
SCHEMBL16749785 0.81 CYP2C19 (0.64) MPLCTRCGLO1SENP2SENP1
SCHEMBL12206631 0.78 MPL (0.81) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL17550007 0.75 MAPT (0.58) MPLCTRCGLO1SENP2SENP1
SCHEMBL27016948 0.73 CYP1A2 (0.82) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL10724086 0.73 GLO1 (0.82) MPLCTRCGLO1SENP2SENP1
SCHEMBL10724094 0.73 GLO1 (0.82) MPLCTRCGLO1SENP2SENP1
SCHEMBL10723387 0.72 GLO1 (0.80) MPLCTRCGLO1SENP2SENP1
SCHEMBL13420016 0.72 MPL (0.79) MPLCTRCGLO1CYP1A2CYP2C9

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
EP-2855597-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-06-07 — — EP disclosed
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