SCHEMBL4743523

SCHEMBL4743523

CC1=C(C(=O)OC(C)(C)C)C(c2cc(Cl)c(O)c(Cl)c2)NC(=O)N1.CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADORA2B P29275 3/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4649164 0.84 MEN1 (0.72) GAAHSD17B10MEN1KMT2AADORA2B
SCHEMBL4649176 0.80 ADORA2B (0.61) GAAHSD17B10MEN1KMT2AADORA2B
SCHEMBL10113142 0.78 TSHR (0.73) GAAHSD17B10MEN1KMT2AADORA2B
SCHEMBL4648858 0.77 GAA (0.66) GAAHSD17B10ADORA2BTSHRALDH1A1
SCHEMBL10113448 0.74 POLB (0.72) GAAMEN1KMT2AADORA2BATM
SCHEMBL4647287 0.73 GAA (0.84) GAAHSD17B10MEN1KMT2AADORA2B
SCHEMBL4647892 0.73 GAA (0.70) GAAHSD17B10MEN1KMT2AADORA2B
SCHEMBL10113469 0.71 GAA (0.66) GAAHSD17B10ADORA2BTSHRPOLB
SCHEMBL19752708 0.71 MEN1 (0.79) HSD17B10MEN1KMT2AADORA2BTSHR
SCHEMBL5343069 0.71 MEN1 (0.79) HSD17B10MEN1KMT2AADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO disclosed