Sugi Predict

Sugi Predict / Compounds / SCHEMBL6557071

SCHEMBL6557071

SCHEMBL6557071

Nc1[nH]nc(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c1CNC=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.34
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH7 P40394 1/20 0.33
▸ PPARG P37231 1/20 0.31
▸ DUT P33316 1/20 0.31

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
SCHEMBL6558363 0.82 KIF11 (0.47) KIF11HRH4PPARGDUT
SCHEMBL6558785 0.75 KIF11 (0.42) KIF11HRH4DUT
SCHEMBL5147565 0.66 KIF11 (0.40) KIF11HRH4ADH1BADH1CADH1A
SCHEMBL6557066 0.66 KIF11 (0.38) KIF11HRH4DUT
SCHEMBL9039609 0.63 KIF11 (0.57) KIF11HRH4PPARGDUT
SCHEMBL8868624 0.61 KIF11 (0.53) KIF11HRH4PPARGDUT
SCHEMBL28458805 0.61 KIF11 (0.41) KIF11DUT
SCHEMBL11275984 0.60 KIF11 (0.74) KIF11HRH4DUT
SCHEMBL27853764 0.59 KIF11 (0.55) KIF11HRH4DUT
SCHEMBL18650266 0.59 KIF11 (0.50) KIF11DUT

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
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 — — EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 — — WO disclosed