SCHEMBL10907377

SCHEMBL10907377

CCN(CC)C(=O)C(C)Oc1ccc(Oc2cnc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GMNN O75496 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
SCHEMBL10848461 0.84 HTT (0.58) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL27259661 0.83 HTT (0.61) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10848429 0.83 HTT (0.61) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10880238 0.82 ALDH1A1 (0.58) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10906680 0.81 ALDH1A1 (0.73) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10885983 0.81 HTT (0.60) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10882476 0.78 HTT (0.51) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10500265 0.74 CYP1A2 (0.61) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL10499524 0.74 ALDH1A1 (0.46) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL9450015 0.74 LMNA (0.55) RAB9ANPSR1LMNAMAPT

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-4609396-A GRASSES IN BROADLEAF CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 — — US disclosed
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