SCHEMBL6706173

SCHEMBL6706173

C(=NC1CCCCC1)=NN1CCOCC1.CCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PABPC1 P11940 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FKBP1A P62942 4/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 1/20 0.33

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
Ethylbenzene SCHEMBL10533016 0.84 CYP1A2 (0.43) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL335423 0.84 CYP1A2 (0.63) CRHBPCRHR2CYP2C9CYP1A2ALDH1A1
SCHEMBL10349280 0.77 ALDH1A1 (0.34) CRHBPCRHR2CYP2C9CYP1A2ALDH1A1
SCHEMBL7371274 0.76 CYP1A2 (0.55) CYP2C9CYP1A2ALDH1A1MAPT
SCHEMBL7072020 0.73 CYP1A2 (0.59) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3459786 0.73 CYP1A2 (0.65) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL10361850 0.73 SLC6A2 (0.35) CRHBPCRHR2CYP2C9ALDH1A1MEN1
SCHEMBL1807959 0.73 CYP1A2 (0.58) CYP2C9CYP1A2ALDH1A1SMN1; SMN2FKBP1A
SCHEMBL31097886 0.71 CYP2C9 (0.51) CYP2C9CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL6233305 0.71 CYP1A2 (0.59) CYP2C9CYP1A2ALDH1A1MEN1KMT2A

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-20040052797-A1 Method for immobilisation of (an) affinity reagent(s) on a hydrophobic solid phase BIO-RAD EUROPE GMBH (CH) 2004-03-18 US disclosed