SCHEMBL4969020

SCHEMBL4969020

O=C(O)c1c[nH]c(=O)c(Cc2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KEAP1 Q14145 1/20 0.39
CYP2C9 P11712 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
SNCA P37840 1/20 0.38
GAA P10253 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
SCHEMBL14604111 0.78 GAA (0.45) TSHRSMN1; SMN2KMT2AMEN1GAA
SCHEMBL7262256 0.73 PDE3B (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6472533 0.73 AKR1B1 (0.40) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL16486420 0.72 TSHR (0.43) TSHRCYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL6209517 0.72 NOTUM (0.53) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL4649050 0.71 PNP (0.42) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL4649823 0.71 KDM4E (0.45) TSHRALDH1A1SMN1; SMN2CYP2C9CYP1A2
SCHEMBL7108447 0.71 TSHR (0.43) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL29089235 0.71 TSHR (0.39) TSHRALDH1A1HPGDTDP1KMT2A
SCHEMBL6471052 0.69 RNASEH1 (0.47) TSHR

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
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed