SCHEMBL9580783

SCHEMBL9580783

CCCCCNC=CC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH7 P40394 2/20 0.48
ADH4 P08319 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CASP2 P42575 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
NAAA Q02083 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
SCHEMBL5024847 0.85
Hydrochloric Acid SCHEMBL28125707 0.83 ADH1B (0.41) ADH1BADH1AADH7ALOX15ALDH1A1
SCHEMBL2364898 0.82 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1566984 0.82 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL24205175 0.80 TDP1 (0.34) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3277867 0.80 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3278822 0.80 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8931323 0.80 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3278556 0.80 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL28178568 0.80 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7

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
JP-5156053-A None JP disclosed
CN-1081440-A 2-aryl-5,6-ring-fused pyrimidines and weeding are used ROHM & HAAS (US) 1994-02-02 CN disclosed
JP-H05156053-A PERMANENT ANTISTATIC COATING AND COATED POLYMERIC FILM HOECHST CELANESE CORP 1993-06-22 JP disclosed