SCHEMBL1667894

SCHEMBL1667894

COc1ccc(C(O)C(C)CCOc2ccc(I)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 9/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL1667893 0.84 MEN1 (0.44) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL1665674 0.76 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL2065858 0.76 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL10178021 0.76 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL703717 0.76 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL30777879 0.76 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL3206868 0.74 MAPT (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL20970479 0.73 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL3578655 0.71 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL18209126 0.70 ALDH1A1 (0.48) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 — — EP disclosed
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