SCHEMBL16358071

SCHEMBL16358071

O=C(Nc1ccc(Br)c(C(F)(I)I)c1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ LMNA P02545 5/20 0.59
▸ HTT P42858 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPT P10636 6/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL850437 0.89 HTT (0.62) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL17236532 0.78 KMT2A (0.68) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL16357737 0.77 MAPT (0.48) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL25253120 0.75 KMT2A (0.77) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL31642809 0.75 MAPT (0.74) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL25273344 0.75 KMT2A (0.63) KMT2AMEN1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL25269062 0.74 KMT2A (0.75) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL2348940 0.72 MEN1 (0.63) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL30976769 0.71 HPGD (0.58) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL29130900 0.71 POLB (0.64) KMT2AMEN1LMNAHTTSMN1; SMN2

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
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 — — WO disclosed
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