SCHEMBL4968832

SCHEMBL4968832

O=C1SCCN(CCCO)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PABPC1 P11940 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8224783 0.89 KMT2A (0.39) ALDH1A1PABPC1KMT2AL3MBTL1
SCHEMBL3469140 0.83 ALDH1A1 (0.31) ALDH1A1PABPC1KMT2AL3MBTL1
SCHEMBL6686488 0.81 ALDH1A1 (0.30) ALDH1A1PABPC1KMT2AL3MBTL1
SCHEMBL9698433 0.79 MGLL (0.44) ALDH1A1KMT2AL3MBTL1HTTKDM4E
SCHEMBL4974635 0.79 MAPK1 (0.30)
SCHEMBL1219320 0.77
SCHEMBL874920 0.77 ALOX15 (0.31)
SCHEMBL6984958 0.77 INMT (0.34)
SCHEMBL28637464 0.74 ALDH1A1 (0.41) ALDH1A1PABPC1KMT2AL3MBTL1HTT
SCHEMBL11186388 0.73 KMT2A (0.39) ALDH1A1PABPC1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 EP disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed