SCHEMBL7102145

SCHEMBL7102145

C=CCOC(C)C(=O)Sc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL464425 0.75 HPGD (0.49) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL5881010 0.72 ALDH1A1 (0.41) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL421283 0.70 LMNA (0.39) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL464396 0.69 LMNA (0.41) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL13030806 0.69 LMNA (0.39) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL13569377 0.69 ALDH1A1 (0.46) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL10800035 0.68 AKT1 (0.44) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12786453 0.67 EHMT2 (0.45) HPGDKMT2ATSHRMEN1ALDH1A1
SCHEMBL7691009 0.67 CYP3A4 (0.49) KMT2ATSHRMEN1ALDH1A1SMN1; SMN2
SCHEMBL4757038 0.66 EHMT2 (0.52) HPGDKMT2ATSHRMEN1ALDH1A1

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-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed