Sugi Predict

Sugi Predict / Compounds / SCHEMBL22559960

SCHEMBL22559960

SCHEMBL22559960

O=C(NCI)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL14282244 0.81 KMT2A (0.50) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL1446531 0.80 EPHX2 (0.49) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL14941550 0.79 KMT2A (0.48) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL47339 0.77 KMT2A (0.46) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL4803949 0.77 KMT2A (0.78) KMT2AHTTALDH1A1RAB9ANPC1
SCHEMBL17273858 0.77 KMT2A (0.78) KMT2AHTTALDH1A1RAB9ANPC1
SCHEMBL5524889 0.77 KMT2A (0.46) KMT2AHTTALDH1A1EPHX2HSD11B1
SCHEMBL966438 0.77 KMT2A (0.78) KMT2AHTTALDH1A1RAB9ANPC1
SCHEMBL1446123 0.77 EPHX2 (0.50) KMT2AHTTALDH1A1EPHX2
SCHEMBL7804748 0.76 KMT2A (0.50) KMT2AHTTALDH1A1EPHX2HSD11B1

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-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 — — US disclosed