SCHEMBL4369997

SCHEMBL4369997

NC(=O)c1c(O)cc(-c2ccccc2)oc1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
POLB P06746 1/20 0.72
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PTGES O14684 1/20 0.46
HSP90AA1 P07900 1/20 0.46
AR P10275 2/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
ALOX15 P16050 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
FTO Q9C0B1 3/20 0.45

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
SCHEMBL4244247 0.87 SMN1; SMN2 (0.77) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL5632532 0.84 SMN1; SMN2 (0.72) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL7370116 0.84 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL4237733 0.80 POLB (0.67) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7373131 0.77 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6962833 0.75 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6952636 0.73 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL6958076 0.73 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL3513442 0.73 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL28127747 0.71 ALOX5 (0.50) SMN1; SMN2L3MBTL1POLBMEN1KMT2A

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-2009061847-A2 METHODS FOR DIAGNOSING AND TREATING PELVIC PAIN DISORDERS VIA BETA-CATENIN UNIVERSITY OF ROCHESTER (US) 2009-05-14 WO claimed