SCHEMBL16168833

SCHEMBL16168833

OOCC(O)CN1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ATM Q13315 2/20 0.59
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 3/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 1/20 0.47
▸ ABCB1 P08183 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL14231470 0.98 KMT2A (0.62) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL11118757 0.81 MEN1 (1.00) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL11480838 0.81 MEN1 (0.64) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL3060825 0.81 MEN1 (0.64) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL68147 0.81 KMT2A (0.64) MEN1KMT2AATMCYP2D6CYP2C19
Hydrochloric Acid SCHEMBL29215641 0.79 KMT2A (0.61) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL20027940 0.78 KMT2A (0.60) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL14116880 0.78 KMT2A (0.60) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL67311 0.78 KMT2A (0.60) MEN1KMT2AATMCYP2D6CYP2C19
SCHEMBL14538079 0.78 KMT2A (0.60) MEN1KMT2AATMCYP2D6CYP2C19

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
EP-1911761-B1 WATER-SOLUBLE ARTEMISININ DERIVATIVES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2014-10-15 — — EP disclosed
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