SCHEMBL9079241

SCHEMBL9079241

CC(C)(C)n1nnc(-c2ccc(CCC(=O)Oc3nnn[nH]3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
MGLL Q99685 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL9078945 0.80 AOC3 (0.47) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL9078546 0.78 SMN1; SMN2 (0.50) AOC3TSHRHSD17B10HPGDMAPK1
Tetrazole SCHEMBL9079231 0.76 POLB (0.41) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL7258758 0.70 SMN1; SMN2 (0.52) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL10593325 0.69 MAPK1 (0.57) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL22256095 0.68 TSHR (0.47) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL9079405 0.67 AOC3 (0.47) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL8849307 0.67 TSHR (0.56) AOC3TSHRHSD17B10HPGDMAPK1
SCHEMBL20714306 0.65 AOC3 (0.50) AOC3TSHRMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9079380 0.65 CNR2 (0.40) MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed