SCHEMBL7397442

SCHEMBL7397442

CCCCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 2/20 0.62
SIRT2 Q8IXJ6 2/20 0.60
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.53
USP2 O75604 1/20 0.53
ALPG P10696 1/20 0.53
GFER P55789 1/20 0.53
SIRT1 Q96EB6 1/20 0.52
HTT P42858 2/20 0.50
TLR8 Q9NR97 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
C5AR1 P21730 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7390863 0.99 TP53 (0.64) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7391995 0.99 TP53 (0.64) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7388416 0.93 TP53 (0.65) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7389782 0.92 KDM4E (0.61) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7394420 0.89 SIRT2 (0.55) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7391936 0.87 SMN1; SMN2 (0.49) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7397513 0.85 HDAC1 (0.51) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL8267158 0.85 SIRT2 (0.50) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7394024 0.84 KDM4E (0.65) TP53SMN1; SMN2GAASIRT2LMNA
SCHEMBL7397143 0.84 SIRT2 (0.60) TP53SMN1; SMN2GAASIRT2LMNA

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-6130333-A VISION DEFECTS; CARDIOVASCULAR DISORDERS MONSANTO COMPANY (US) 2000-10-10 US disclosed