SCHEMBL7836733

SCHEMBL7836733

C=CCc1cccc2c1nnn2[O]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 8/20 0.36
KMT2A Q03164 8/20 0.36
MAPT P10636 6/20 0.36
PKM P14618 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.34
HIF1A Q16665 1/20 0.33
GRM2 Q14416 2/20 0.32

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
SCHEMBL3454178 0.81 GABRA1 (0.42) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL6510223 0.77 GABRA1 (0.36) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL2395983 0.76 GABRA1 (0.36) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL26136210 0.74 GRM2 (0.36) GABRA1GABRB2MEN1KMT2APKM
SCHEMBL11456733 0.68 GRM2 (0.50) KMT2ALMNAGRM2
SCHEMBL253039 0.67 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL11777336 0.66 GABRA1 (0.40) GABRA1GABRB2MEN1KMT2AMAPT
Bicarbonate SCHEMBL28476605 0.65 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL4456728 0.64 GABRA1 (0.54) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL5824091 0.64 GABRA1 (0.58) GABRA1GABRB2MEN1KMT2AMAPT

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
EP-0723539-B1 TRICYCLIC SULFONAMIDE COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORP (US) 2001-12-12 EP claimed