Sugi Predict

Sugi Predict / Compounds / SCHEMBL14784235

SCHEMBL14784235

SCHEMBL14784235

O=C1CSN(CCO)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.32

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
SCHEMBL4562952 0.70 CYP3A4 (0.38) —
SCHEMBL28989509 0.59 KMT2A (0.34) KMT2AALDH1A1PABPC1L3MBTL1HTT
SCHEMBL1693423 0.58 MAPT (0.56) KMT2AALDH1A1HTT
SCHEMBL3035133 0.56 KMT2A (0.45) KMT2AALDH1A1HTT
SCHEMBL16039625 0.56 USP2 (0.44) KMT2AALDH1A1PABPC1L3MBTL1HTT
SCHEMBL12924153 0.56 KDM4E (0.42) KMT2AALDH1A1PABPC1L3MBTL1HTT
SCHEMBL21383924 0.55 POLB (0.32) KMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL282756 0.55 KMT2A (0.39) KMT2AALDH1A1PABPC1L3MBTL1HTT
SCHEMBL8827083 0.55 KMT2A (0.39) KMT2AALDH1A1PABPC1L3MBTL1
SCHEMBL3191229 0.55 KMT2A (0.39) KMT2AALDH1A1L3MBTL1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 — — EP disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO disclosed