SCHEMBL28048524

SCHEMBL28048524

c1cncc(COc2ccc(OCc3cccnc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.64
▸ CYP19A1 P11511 1/20 0.56
▸ CYP11B1 P15538 1/20 0.56
▸ CYP11B2 P19099 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ GPR132 Q9UNW8 1/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ MAOA P21397 2/20 0.51
▸ F9 P00740 1/20 0.51
▸ F10 P00742 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51

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
SCHEMBL7311175 0.92 MAPK1 (0.65) MAPK1HTR1ADRD2MEN1KMT2A
SCHEMBL30354931 0.91 MAOB (0.62) MAPK1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8881389 0.91 HTT (0.62) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL8361615 0.91 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL4060132 0.91 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL8041706 0.91 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL171895 0.91 MAPK1 (0.56) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3761776 0.91 MAOB (0.62) MAPK1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL18297474 0.91 APP (0.58) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL8361588 0.89 MAPK1 (0.58) MAPK1CYP19A1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105367591-B Cadimium complex monocrystal capable of catalyzing photodegradation of methylene blue, and preparation method thereof 安阳师范学院 2017-03-22 — — CN disclosed
CN-105367591-A Cadimium complex monocrystal capable of catalyzing photodegradation of methylene blue, and preparation method thereof UNIV ANYANG NORMAL 2016-03-02 — — CN disclosed
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