SCHEMBL27569578

SCHEMBL27569578

Cc1onc(OC=O)c1C(=O)Nc1cccc(/C=C/c2nc(C(C)C)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.53
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 6/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL27569532 0.87 ALB (0.52) ALBTSHRMEN1KMT2AALDH1A1
SCHEMBL5776761 0.86 ALB (0.59) ALBTSHRMEN1KMT2AALDH1A1
SCHEMBL5777402 0.84 ALB (0.59) ALBTSHRMEN1KMT2AALDH1A1
SCHEMBL5776249 0.84 HTT (0.58) ALBTSHRMEN1KMT2AALDH1A1
SCHEMBL5774563 0.82 ALB (0.69) ALBMEN1KMT2AALDH1A1HTT
SCHEMBL5777394 0.82 ALB (0.50) ALBTSHRMEN1KMT2AALDH1A1
SCHEMBL5778350 0.76 ALB (0.57) ALBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27588013 0.76 ALB (0.66) ALBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5776363 0.76 ALB (0.66) ALBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5775071 0.75 ALB (0.60) ALBMEN1KMT2AALDH1A1SMN1; 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
CN-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 CN disclosed