SCHEMBL13634870

SCHEMBL13634870

CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)c1ccc2c(=O)n(-c3ccc(C(=O)O)cc3)c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HTR3A P46098 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL4418540 0.86 HTR3A (0.36) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL4425571 0.86 RXFP1 (0.36) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL4425764 0.84 TP53 (0.45) SMN1; SMN2LMNAMEN1KMT2ARXFP1
SCHEMBL4417113 0.76 KDM4E (0.53) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL4252448 0.75 SMN1; SMN2 (0.66) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL12768215 0.74 KDM4E (0.40) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL20401146 0.72 PTGES (0.48) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL14525736 0.71 ALDH1A1 (0.42) SMN1; SMN2LMNAHTR3AMEN1KMT2A
SCHEMBL2643233 0.70 PTGES (0.63) LTB4R2
SCHEMBL4253105 0.70 ALDH1A1 (0.62) SMN1; SMN2LMNAHTR3AMEN1KMT2A

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-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 — — EP disclosed
Send feedback